2-chloro-7-methyl-3-propan-2-ylquinoline;2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;bis(4-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one;hydrofluoride

C203H245Cl2F8N29O14 — CID 160713261

IUPAC2-chloro-7-methyl-3-propan-2-ylquinoline;2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;bis(4-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one;hydrofluoride
SMILESCC(C)c1cc(=O)[nH]c2ccccc12.CC(C)c1cc(=O)[nH]c2ccccc12.CC(C)c1cc(=O)[nH]cc1F.CC(C)c1cc(=O)[nH]cc1F.CC(C)c1cc(C(N)=O)cnc1F.CC(C)c1cc2[nH]cnc2cc1F.CC(C)c1cc2c(N)n[nH]c2cc1F.CC(C)c1cc2c(N)noc2cc1F.CC(C)c1cc2ccccc2[nH]c1=O.CC(C)c1cc[nH]c(=O)c1.CC(C)c1ccc(C(N)=O)cc1.CC(C)c1ccc(CN)cc1.CC(C)c1ccc2[nH]c(=O)[nH]c2c1.CC(C)c1ccc2nc(Cl)[nH]c2c1.CC(C)c1ccc2onc(N)c2c1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1nc(C2CC2)ccc1F.CC(C)c1nc2ccccc2[nH]c1=O.Cc1c[nH]c(=O)cc1C(C)C.Cc1ccc2cc(C(C)C)c(Cl)nc2c1.F
InChIInChI=1S/C13H14ClN.3C12H13NO.C11H14FN.C11H12N2O.C10H11ClN2.C10H12FN3.C10H11FN2O.C10H11FN2.2C10H12N2O.2C10H13NO.C10H15N.C9H11FN2O.C9H13NO.2C8H10FNO.C8H11NO.FH/c1-8(2)11-7-10-5-4-9(3)6-12(10)15-13(11)14;2*1-8(2)10-7-12(14)13-11-6-4-3-5-9(10)11;1-8(2)10-7-9-5-3-4-6-11(9)13-12(10)14;1-7(2)11-9(12)5-6-10(13-11)8-3-4-8;1-7(2)10-11(14)13-9-6-4-3-5-8(9)12-10;1-6(2)7-3-4-8-9(5-7)13-10(11)12-8;1-5(2)6-3-7-9(4-8(6)11)13-14-10(7)12;1-5(2)6-3-7-9(4-8(6)11)14-13-10(7)12;1-6(2)7-3-9-10(4-8(7)11)13-5-12-9;1-6(2)7-3-4-9-8(5-7)10(11)12-13-9;1-6(2)7-3-4-8-9(5-7)12-10(13)11-8;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)8-4-3-5-9(6-8)10(11)12;1-8(2)10-5-3-9(7-11)4-6-10;1-5(2)7-3-6(9(11)13)4-12-8(7)10;1-6(2)8-4-9(11)10-5-7(8)3;2*1-5(2)6-3-8(11)10-4-7(6)9;1-6(2)7-3-4-9-8(10)5-7;/h4-8H,1-3H3;3*3-8H,1-2H3,(H,13,14);5-8H,3-4H2,1-2H3;3-7H,1-2H3,(H,13,14);3-6H,1-2H3,(H,12,13);3-5H,1-2H3,(H3,12,13,14);3-5H,1-2H3,(H2,12,13);3-6H,1-2H3,(H,12,13);3-6H,1-2H3,(H2,11,12);3-6H,1-2H3,(H2,11,12,13);2*3-7H,1-2H3,(H2,11,12);3-6,8H,7,11H2,1-2H3;3-5H,1-2H3,(H2,11,13);4-6H,1-3H3,(H,10,11);2*3-5H,1-2H3,(H,10,11);3-6H,1-2H3,(H,9,10);1H
InChIKeyRSDDJUFSPMSTGC-UHFFFAOYSA-N
MW3538.27 g/mol
LogP47.56
Rot. Bonds25

About 2-chloro-7-methyl-3-propan-2-ylquinoline;2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;bis(4-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one;hydrofluoride

2-chloro-7-methyl-3-propan-2-ylquinoline;2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;bis(4-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one;hydrofluoride (PubChem CID 160713261) has the molecular formula C203H245Cl2F8N29O14 and a molecular weight of 3538.27 g/mol. Its IUPAC name is 2-chloro-7-methyl-3-propan-2-ylquinoline;2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;bis(4-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one;hydrofluoride.

Molecular Properties

Compound Name2-chloro-7-methyl-3-propan-2-ylquinoline;2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;bis(4-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one;hydrofluoride
PubChem CID160713261
Molecular FormulaC203H245Cl2F8N29O14
Molecular Weight3538.27 g/mol
Exact Mass3534.86
IUPAC Name2-chloro-7-methyl-3-propan-2-ylquinoline;2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;bis(4-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one;hydrofluoride
SMILESCC(C)c1cc(=O)[nH]c2ccccc12.CC(C)c1cc(=O)[nH]c2ccccc12.CC(C)c1cc(=O)[nH]cc1F.CC(C)c1cc(=O)[nH]cc1F.CC(C)c1cc(C(N)=O)cnc1F.CC(C)c1cc2[nH]cnc2cc1F.CC(C)c1cc2c(N)n[nH]c2cc1F.CC(C)c1cc2c(N)noc2cc1F.CC(C)c1cc2ccccc2[nH]c1=O.CC(C)c1cc[nH]c(=O)c1.CC(C)c1ccc(C(N)=O)cc1.CC(C)c1ccc(CN)cc1.CC(C)c1ccc2[nH]c(=O)[nH]c2c1.CC(C)c1ccc2nc(Cl)[nH]c2c1.CC(C)c1ccc2onc(N)c2c1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1nc(C2CC2)ccc1F.CC(C)c1nc2ccccc2[nH]c1=O.Cc1c[nH]c(=O)cc1C(C)C.Cc1ccc2cc(C(C)C)c(Cl)nc2c1.F
InChIInChI=1S/C13H14ClN.3C12H13NO.C11H14FN.C11H12N2O.C10H11ClN2.C10H12FN3.C10H11FN2O.C10H11FN2.2C10H12N2O.2C10H13NO.C10H15N.C9H11FN2O.C9H13NO.2C8H10FNO.C8H11NO.FH/c1-8(2)11-7-10-5-4-9(3)6-12(10)15-13(11)14;2*1-8(2)10-7-12(14)13-11-6-4-3-5-9(10)11;1-8(2)10-7-9-5-3-4-6-11(9)13-12(10)14;1-7(2)11-9(12)5-6-10(13-11)8-3-4-8;1-7(2)10-11(14)13-9-6-4-3-5-8(9)12-10;1-6(2)7-3-4-8-9(5-7)13-10(11)12-8;1-5(2)6-3-7-9(4-8(6)11)13-14-10(7)12;1-5(2)6-3-7-9(4-8(6)11)14-13-10(7)12;1-6(2)7-3-9-10(4-8(7)11)13-5-12-9;1-6(2)7-3-4-9-8(5-7)10(11)12-13-9;1-6(2)7-3-4-8-9(5-7)12-10(13)11-8;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)8-4-3-5-9(6-8)10(11)12;1-8(2)10-5-3-9(7-11)4-6-10;1-5(2)7-3-6(9(11)13)4-12-8(7)10;1-6(2)8-4-9(11)10-5-7(8)3;2*1-5(2)6-3-8(11)10-4-7(6)9;1-6(2)7-3-4-9-8(10)5-7;/h4-8H,1-3H3;3*3-8H,1-2H3,(H,13,14);5-8H,3-4H2,1-2H3;3-7H,1-2H3,(H,13,14);3-6H,1-2H3,(H,12,13);3-5H,1-2H3,(H3,12,13,14);3-5H,1-2H3,(H2,12,13);3-6H,1-2H3,(H,12,13);3-6H,1-2H3,(H2,11,12);3-6H,1-2H3,(H2,11,12,13);2*3-7H,1-2H3,(H2,11,12);3-6,8H,7,11H2,1-2H3;3-5H,1-2H3,(H2,11,13);4-6H,1-3H3,(H,10,11);2*3-5H,1-2H3,(H,10,11);3-6H,1-2H3,(H,9,10);1H
InChIKeyRSDDJUFSPMSTGC-UHFFFAOYSA-N
XLogP47.56
TPSA734.54 Ų
H-Bond Donors20
H-Bond Acceptors27
Rotatable Bonds25
Heavy Atoms256
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003538.27
LogP ≤ 547.56
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-7-methyl-3-propan-2-ylquinoline;2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;bis(4-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one;hydrofluoride with MolForge

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Related Compounds

4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methyl-1H-pyridin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-6-methyl-1H-pyridin-2-one;4-[2-cyclopropyl-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylbenzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[1-methyl-7-(6-methylquinolin-5-yl)-2-(trifluoromethyl)benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-2-(oxetan-3-yl)-3H-benzimidazol-5-yl]-1,2-oxazole
CID 157623528
4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;4-[7-(1,4-dimethylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 158143448
4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(7-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 161332020
4-tert-butyl-3-chloro-5-methyl-1,2-benzoxazole;4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;7-tert-butyl-1,6-dimethylbenzotriazole;7-tert-butyl-3,6-dimethyl-1,2-benzoxazole;4-tert-butyl-2,5-dimethylindazole;7-tert-butyl-1,6-dimethylindazole;7-tert-butyl-2,6-dimethylindazole;4-tert-butyl-3-ethyl-5-methyl-2H-indazole;7-tert-butyl-1-ethyl-6-methylindazole;7-tert-butyl-6-fluoro-1-methylindazole;bis(4-tert-butyl-5-methyl-2H-benzotriazole);4-tert-butyl-5-methyl-1,3-dihydrobenzimidazol-2-one;4-tert-butyl-5-methyl-1,2-dihydroindazol-3-one;7-tert-butyl-6-methyl-1,2-dihydroindazol-3-one;4-tert-butyl-3-methyl-2H-indazole;N-(4-tert-butyl-5-methyl-1H-indazol-3-yl)acetamide;4-tert-butyl-3-(trifluoromethyl)-2H-indazole
CID 161929800
2-[4-(4-amino-2,3-difluorophenyl)-5-fluoro-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-3H-pyrrol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-difluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(7-fluoro-3-methyl-2H-indazol-6-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[5-fluoro-4-(3-methyl-1,2-benzoxazol-6-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167536348
CID 167659818
CID 167659818
5-fluoro-N-[[2-fluoro-4-[2-[1-[[7-[3-fluoro-4-[[(5-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)amino]methyl]phenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-benzoxazol-3-amine
CID 171803391
1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethoxy]quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;bis(1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-8-fluoro-2-[2-(3-fluoro-3-methylazetidin-1-yl)ethoxy]quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one);4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-8-fluoroquinazolin-7-yl]-5-methyl-1,3-dihydrobenzimidazol-2-one
CID 157136000
4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 157181237
6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-indazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-isoindol-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 157234558
1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-2-[3-(dimethylamino)propylamino]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-[(1-methylpyrrol-3-yl)amino]quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-8-fluoro-2-(3-morpholin-4-ylpropylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;bis(1-[(2R,5S)-4-[6-chloro-7-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one)
CID 157323005
2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-1H-quinolin-2-one;3-propan-2-yl-1H-quinoxalin-2-one
CID 157358332

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methyl-3-propan-2-ylquinoline;2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;bis(4-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one;hydrofluoride?
The IUPAC name of 2-chloro-7-methyl-3-propan-2-ylquinoline;2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;bis(4-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one;hydrofluoride (CID 160713261) is 2-chloro-7-methyl-3-propan-2-ylquinoline;2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;bis(4-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one;hydrofluoride.
What is the SMILES notation for 2-chloro-7-methyl-3-propan-2-ylquinoline;2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;bis(4-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one;hydrofluoride?
The canonical SMILES for 2-chloro-7-methyl-3-propan-2-ylquinoline;2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;bis(4-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one;hydrofluoride is CC(C)c1cc(=O)[nH]c2ccccc12.CC(C)c1cc(=O)[nH]c2ccccc12.CC(C)c1cc(=O)[nH]cc1F.CC(C)c1cc(=O)[nH]cc1F.CC(C)c1cc(C(N)=O)cnc1F.CC(C)c1cc2[nH]cnc2cc1F.CC(C)c1cc2c(N)n[nH]c2cc1F.CC(C)c1cc2c(N)noc2cc1F.CC(C)c1cc2ccccc2[nH]c1=O.CC(C)c1cc[nH]c(=O)c1.CC(C)c1ccc(C(N)=O)cc1.CC(C)c1ccc(CN)cc1.CC(C)c1ccc2[nH]c(=O)[nH]c2c1.CC(C)c1ccc2nc(Cl)[nH]c2c1.CC(C)c1ccc2onc(N)c2c1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1nc(C2CC2)ccc1F.CC(C)c1nc2ccccc2[nH]c1=O.Cc1c[nH]c(=O)cc1C(C)C.Cc1ccc2cc(C(C)C)c(Cl)nc2c1.F.
What is the InChIKey of 2-chloro-7-methyl-3-propan-2-ylquinoline;2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;bis(4-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one;hydrofluoride?
The InChIKey is RSDDJUFSPMSTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN.3C12H13NO.C11H14FN.C11H12N2O.C10H11ClN2.C10H12FN3.C10H11FN2O.C10H11FN2.2C10H12N2O.2C10H13NO.C10H15N.C9H11FN2O.C9H13NO.2C8H10FNO.C8H11NO.FH/c1-8(2)11-7-10-5-4-9(3)6-12(10)15-13(11)14;2*1-8(2)10-7-12(14)13-11-6-4-3-5-9(10)11;1-8(2)10-7-9-5-3-4-6-11(9)13-12(10)14;1-7(2)11-9(12)5-6-10(13-11)8-3-4-8;1-7(2)10-11(14)13-9-6-4-3-5-8(9)12-10;1-6(2)7-3-4-8-9(5-7)13-10(11)12-8;1-5(2)6-3-7-9(4-8(6)11)13-14-10(7)12;1-5(2)6-3-7-9(4-8(6)11)14-13-10(7)12;1-6(2)7-3-9-10(4-8(7)11)13-5-12-9;1-6(2)7-3-4-9-8(5-7)10(11)12-13-9;1-6(2)7-3-4-8-9(5-7)12-10(13)11-8;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)8-4-3-5-9(6-8)10(11)12;1-8(2)10-5-3-9(7-11)4-6-10;1-5(2)7-3-6(9(11)13)4-12-8(7)10;1-6(2)8-4-9(11)10-5-7(8)3;2*1-5(2)6-3-8(11)10-4-7(6)9;1-6(2)7-3-4-9-8(10)5-7;/h4-8H,1-3H3;3*3-8H,1-2H3,(H,13,14);5-8H,3-4H2,1-2H3;3-7H,1-2H3,(H,13,14);3-6H,1-2H3,(H,12,13);3-5H,1-2H3,(H3,12,13,14);3-5H,1-2H3,(H2,12,13);3-6H,1-2H3,(H,12,13);3-6H,1-2H3,(H2,11,12);3-6H,1-2H3,(H2,11,12,13);2*3-7H,1-2H3,(H2,11,12);3-6,8H,7,11H2,1-2H3;3-5H,1-2H3,(H2,11,13);4-6H,1-3H3,(H,10,11);2*3-5H,1-2H3,(H,10,11);3-6H,1-2H3,(H,9,10);1H.
What are the key properties of 2-chloro-7-methyl-3-propan-2-ylquinoline;2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;bis(4-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one;hydrofluoride?
2-chloro-7-methyl-3-propan-2-ylquinoline;2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;bis(4-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one;hydrofluoride has a molecular weight of 3538.27 g/mol, XLogP of 47.56, 25 rotatable bonds, 20 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methyl-3-propan-2-ylquinoline;2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;bis(4-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one;hydrofluoride is sourced from PubChem (CID 160713261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).