2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;6-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;8-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;9-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline

C167H197N17O8 — CID 162156076

IUPAC2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;6-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;8-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;9-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline
SMILESCC(C)C1CCCc2c1ccc1[nH]cnc21.CC(C)C1CCCc2c1ccc1ocnc21.CC(C)C1COCc2cc3cc[nH]c3cc21.CC(C)C1c2cccnc2Oc2ncccc21.CC(C)c1c2c(cc3cc[nH]c13)COCC2.CC(C)c1cc2c3c(ncc2[nH]1)CCCC3.CC(C)c1ccc2c(n1)Oc1ccccc1C2.CC(C)c1ccc2c3c([nH]c2c1)CCCC3.CC(C)c1ccc2cc3c(cc2n1)NCC3.CC(C)c1ccc2oc3c(c2c1)CCCC3.CC(C)c1nc2cc3c(cc2[nH]1)CCC3.CC(C)c1nc2cc3c(cc2[nH]1)OCO3
InChIInChI=1S/C15H15NO.C15H19N.C15H18O.C14H14N2O.C14H16N2.2C14H18N2.3C14H17NO.C13H16N2.C11H12N2O2/c1-10(2)13-8-7-12-9-11-5-3-4-6-14(11)17-15(12)16-13;1-10(2)11-7-8-13-12-5-3-4-6-14(12)16-15(13)9-11;1-10(2)11-7-8-15-13(9-11)12-5-3-4-6-14(12)16-15;1-9(2)12-10-5-3-7-15-13(10)17-14-11(12)6-4-8-16-14;1-9(2)12-4-3-10-7-11-5-6-15-13(11)8-14(10)16-12;1-9(2)10-4-3-5-12-11(10)6-7-13-14(12)16-8-15-13;1-9(2)13-7-11-10-5-3-4-6-12(10)15-8-14(11)16-13;1-9(2)13-12-4-6-16-8-11(12)7-10-3-5-15-14(10)13;1-9(2)13-8-16-7-11-5-10-3-4-15-14(10)6-12(11)13;1-9(2)10-4-3-5-12-11(10)6-7-13-14(12)15-8-16-13;1-8(2)13-14-11-6-9-4-3-5-10(9)7-12(11)15-13;1-6(2)11-12-7-3-9-10(15-5-14-9)4-8(7)13-11/h3-8,10H,9H2,1-2H3;7-10,16H,3-6H2,1-2H3;7-10H,3-6H2,1-2H3;3-9,12H,1-2H3;3-4,7-9,15H,5-6H2,1-2H3;6-10H,3-5H2,1-2H3,(H,15,16);7-9,16H,3-6H2,1-2H3;3,5,7,9,15H,4,6,8H2,1-2H3;3-6,9,13,15H,7-8H2,1-2H3;6-10H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3,(H,14,15);3-4,6H,5H2,1-2H3,(H,12,13)
InChIKeyZLVMRGWPKRTGQJ-UHFFFAOYSA-N
MW2570.52 g/mol
LogP42.70
Rot. Bonds12

About 2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;6-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;8-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;9-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline

2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;6-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;8-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;9-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline (PubChem CID 162156076) has the molecular formula C167H197N17O8 and a molecular weight of 2570.52 g/mol. Its IUPAC name is 2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;6-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;8-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;9-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline.

Molecular Properties

Compound Name2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;6-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;8-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;9-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline
PubChem CID162156076
Molecular FormulaC167H197N17O8
Molecular Weight2570.52 g/mol
Exact Mass2568.55
IUPAC Name2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;6-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;8-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;9-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline
SMILESCC(C)C1CCCc2c1ccc1[nH]cnc21.CC(C)C1CCCc2c1ccc1ocnc21.CC(C)C1COCc2cc3cc[nH]c3cc21.CC(C)C1c2cccnc2Oc2ncccc21.CC(C)c1c2c(cc3cc[nH]c13)COCC2.CC(C)c1cc2c3c(ncc2[nH]1)CCCC3.CC(C)c1ccc2c(n1)Oc1ccccc1C2.CC(C)c1ccc2c3c([nH]c2c1)CCCC3.CC(C)c1ccc2cc3c(cc2n1)NCC3.CC(C)c1ccc2oc3c(c2c1)CCCC3.CC(C)c1nc2cc3c(cc2[nH]1)CCC3.CC(C)c1nc2cc3c(cc2[nH]1)OCO3
InChIInChI=1S/C15H15NO.C15H19N.C15H18O.C14H14N2O.C14H16N2.2C14H18N2.3C14H17NO.C13H16N2.C11H12N2O2/c1-10(2)13-8-7-12-9-11-5-3-4-6-14(11)17-15(12)16-13;1-10(2)11-7-8-13-12-5-3-4-6-14(12)16-15(13)9-11;1-10(2)11-7-8-15-13(9-11)12-5-3-4-6-14(12)16-15;1-9(2)12-10-5-3-7-15-13(10)17-14-11(12)6-4-8-16-14;1-9(2)12-4-3-10-7-11-5-6-15-13(11)8-14(10)16-12;1-9(2)10-4-3-5-12-11(10)6-7-13-14(12)16-8-15-13;1-9(2)13-7-11-10-5-3-4-6-12(10)15-8-14(11)16-13;1-9(2)13-12-4-6-16-8-11(12)7-10-3-5-15-14(10)13;1-9(2)13-8-16-7-11-5-10-3-4-15-14(10)6-12(11)13;1-9(2)10-4-3-5-12-11(10)6-7-13-14(12)15-8-16-13;1-8(2)13-14-11-6-9-4-3-5-10(9)7-12(11)15-13;1-6(2)11-12-7-3-9-10(15-5-14-9)4-8(7)13-11/h3-8,10H,9H2,1-2H3;7-10,16H,3-6H2,1-2H3;7-10H,3-6H2,1-2H3;3-9,12H,1-2H3;3-4,7-9,15H,5-6H2,1-2H3;6-10H,3-5H2,1-2H3,(H,15,16);7-9,16H,3-6H2,1-2H3;3,5,7,9,15H,4,6,8H2,1-2H3;3-6,9,13,15H,7-8H2,1-2H3;6-10H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3,(H,14,15);3-4,6H,5H2,1-2H3,(H,12,13)
InChIKeyZLVMRGWPKRTGQJ-UHFFFAOYSA-N
XLogP42.70
TPSA320.23 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002570.52
LogP ≤ 542.70
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;6-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;8-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;9-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline with MolForge

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Related Compounds

7-acetamido-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N'-tert-butyl-N-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]butanediamide
CID 158190768
4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(1,3-benzoxazol-6-yl)-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclobutyl-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-cyclopropyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 159363820
2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-ethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one;4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methylquinolin-2-yl]morpholine;2-(2-methoxy-6-methylquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 162193573
CID 157060209
CID 157060209
CID 157071424
CID 157071424
CID 157126147
CID 157126147
4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;8-tert-butylquinoline
CID 157202481
methane;2-methylidene-4-propan-2-yl-3H-1-benzofuran;2-methylidene-7-propan-2-yl-3H-1-benzofuran;bis(2-methylidene-4-propan-2-yl-1,3-dihydroindole);2-methylidene-8-propan-2-yl-1H-naphthalene;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;9-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;3-propan-2-yl-1H-indole;bis(4-propan-2-yl-1H-indole);7-propan-2-yl-1H-indole;8-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-3H-quinolin-4-one;5-propan-2-ylquinoxaline;6-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 157224544
2-propan-2-yl-5H-chromeno[2,3-b]pyridine;2-propan-2-yl-7,8-dihydro-6H-cyclopenta[g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-cyclopenta[c]quinoline;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran
CID 157285800
CID 157289620
CID 157289620
2-[4-[2-[4-(1,3-benzoxazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]-1,3-benzoxazole;2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-di(triphenylen-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline;2-[4-[2-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole;2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline
CID 157404452
N-[2-(dimethylamino)ethyl]-3-methoxy-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[5-[6-(dimethylamino)-3-pyridinyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;3-methoxy-4-[[4-methoxy-5-[4-[1-(methylamino)ethenyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-propan-2-yloxy-7H-cyclopenta[d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(2-methyl-3H-benzimidazol-5-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157454668

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;6-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;8-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;9-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline?
The IUPAC name of 2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;6-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;8-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;9-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline (CID 162156076) is 2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;6-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;8-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;9-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline.
What is the SMILES notation for 2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;6-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;8-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;9-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline?
The canonical SMILES for 2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;6-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;8-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;9-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline is CC(C)C1CCCc2c1ccc1[nH]cnc21.CC(C)C1CCCc2c1ccc1ocnc21.CC(C)C1COCc2cc3cc[nH]c3cc21.CC(C)C1c2cccnc2Oc2ncccc21.CC(C)c1c2c(cc3cc[nH]c13)COCC2.CC(C)c1cc2c3c(ncc2[nH]1)CCCC3.CC(C)c1ccc2c(n1)Oc1ccccc1C2.CC(C)c1ccc2c3c([nH]c2c1)CCCC3.CC(C)c1ccc2cc3c(cc2n1)NCC3.CC(C)c1ccc2oc3c(c2c1)CCCC3.CC(C)c1nc2cc3c(cc2[nH]1)CCC3.CC(C)c1nc2cc3c(cc2[nH]1)OCO3.
What is the InChIKey of 2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;6-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;8-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;9-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline?
The InChIKey is ZLVMRGWPKRTGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO.C15H19N.C15H18O.C14H14N2O.C14H16N2.2C14H18N2.3C14H17NO.C13H16N2.C11H12N2O2/c1-10(2)13-8-7-12-9-11-5-3-4-6-14(11)17-15(12)16-13;1-10(2)11-7-8-13-12-5-3-4-6-14(12)16-15(13)9-11;1-10(2)11-7-8-15-13(9-11)12-5-3-4-6-14(12)16-15;1-9(2)12-10-5-3-7-15-13(10)17-14-11(12)6-4-8-16-14;1-9(2)12-4-3-10-7-11-5-6-15-13(11)8-14(10)16-12;1-9(2)10-4-3-5-12-11(10)6-7-13-14(12)16-8-15-13;1-9(2)13-7-11-10-5-3-4-6-12(10)15-8-14(11)16-13;1-9(2)13-12-4-6-16-8-11(12)7-10-3-5-15-14(10)13;1-9(2)13-8-16-7-11-5-10-3-4-15-14(10)6-12(11)13;1-9(2)10-4-3-5-12-11(10)6-7-13-14(12)15-8-16-13;1-8(2)13-14-11-6-9-4-3-5-10(9)7-12(11)15-13;1-6(2)11-12-7-3-9-10(15-5-14-9)4-8(7)13-11/h3-8,10H,9H2,1-2H3;7-10,16H,3-6H2,1-2H3;7-10H,3-6H2,1-2H3;3-9,12H,1-2H3;3-4,7-9,15H,5-6H2,1-2H3;6-10H,3-5H2,1-2H3,(H,15,16);7-9,16H,3-6H2,1-2H3;3,5,7,9,15H,4,6,8H2,1-2H3;3-6,9,13,15H,7-8H2,1-2H3;6-10H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3,(H,14,15);3-4,6H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;6-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;8-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;9-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline?
2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;6-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;8-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;9-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline has a molecular weight of 2570.52 g/mol, XLogP of 42.70, 12 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;6-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;8-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;9-propan-2-yl-1,5,7,8-tetrahydropyrano[3,4-f]indole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline is sourced from PubChem (CID 162156076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).