7-chloro-8-propan-2-ylquinoline;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-fluoro-7-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylphthalazine;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;5-propan-2-ylquinoline-6-carbonitrile

C222H263ClF4N20O4 — CID 162084298

IUPAC7-chloro-8-propan-2-ylquinoline;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-fluoro-7-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylphthalazine;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;5-propan-2-ylquinoline-6-carbonitrile
SMILESCC(C)c1c(C#N)ccc2ncccc12.CC(C)c1c(Cl)ccc2cccnc12.CC(C)c1ccc(F)c2cccnc12.CC(C)c1cccc2c1OC(F)(F)O2.CC(C)c1cccc2cnncc12.CC(C)c1cccc2ncncc12.CC(C)c1cccc2nonc12.CC(C)c1cccn2nccc12.COc1ccc(C(C)C)c2c1CCCC2.Cc1cc(C)c(C(C)C)c2c1CCC2.Cc1cc(C)c(C(C)C)c2c1CCCC2.Cc1cc(F)c2cccnc2c1C(C)C.Cc1ccc2c(c1C(C)C)CCCC2.Cc1ccc2cccnc2c1C(C)C.Cc1ccc2cnncc2c1C(C)C.Cc1ccc2ncccc2c1C(C)C.Cc1ccc2ncncc2c1C(C)C.Cc1nc2ccccc2c(C(C)C)c1C
InChIInChI=1S/C15H22.C14H17N.C14H20O.2C14H20.C13H14FN.C13H12N2.2C13H15N.C12H12ClN.C12H12FN.2C12H14N2.2C11H12N2.C10H10F2O2.C10H12N2.C9H10N2O/c1-10(2)15-12(4)9-11(3)13-7-5-6-8-14(13)15;1-9(2)14-10(3)11(4)15-13-8-6-5-7-12(13)14;1-10(2)11-8-9-14(15-3)13-7-5-4-6-12(11)13;1-9(2)14-11(4)8-10(3)12-6-5-7-13(12)14;1-10(2)14-11(3)8-9-12-6-4-5-7-13(12)14;1-8(2)12-9(3)7-11(14)10-5-4-6-15-13(10)12;1-9(2)13-10(8-14)5-6-12-11(13)4-3-7-15-12;1-9(2)13-10(3)6-7-12-11(13)5-4-8-14-12;1-9(2)12-10(3)6-7-11-5-4-8-14-13(11)12;1-8(2)11-10(13)6-5-9-4-3-7-14-12(9)11;1-8(2)9-5-6-11(13)10-4-3-7-14-12(9)10;1-8(2)12-9(3)4-5-11-10(12)6-13-7-14-11;1-8(2)12-9(3)4-5-10-6-13-14-7-11(10)12;1-8(2)9-4-3-5-11-10(9)6-12-7-13-11;1-8(2)10-5-3-4-9-6-12-13-7-11(9)10;1-6(2)7-4-3-5-8-9(7)14-10(11,12)13-8;1-8(2)9-4-3-7-12-10(9)5-6-11-12;1-6(2)7-4-3-5-8-9(7)11-12-10-8/h9-10H,5-8H2,1-4H3;5-9H,1-4H3;8-10H,4-7H2,1-3H3;8-9H,5-7H2,1-4H3;8-10H,4-7H2,1-3H3;4-8H,1-3H3;3-7,9H,1-2H3;2*4-9H,1-3H3;2*3-8H,1-2H3;2*4-8H,1-3H3;2*3-8H,1-2H3;3-6H,1-2H3;3-8H,1-2H3;3-6H,1-2H3
InChIKeyZCTHBQARMNPSDR-UHFFFAOYSA-N
MW3387.13 g/mol
LogP61.33
Rot. Bonds19

About 7-chloro-8-propan-2-ylquinoline;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-fluoro-7-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylphthalazine;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;5-propan-2-ylquinoline-6-carbonitrile

7-chloro-8-propan-2-ylquinoline;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-fluoro-7-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylphthalazine;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;5-propan-2-ylquinoline-6-carbonitrile (PubChem CID 162084298) has the molecular formula C222H263ClF4N20O4 and a molecular weight of 3387.13 g/mol. Its IUPAC name is 7-chloro-8-propan-2-ylquinoline;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-fluoro-7-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylphthalazine;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;5-propan-2-ylquinoline-6-carbonitrile.

Molecular Properties

Compound Name7-chloro-8-propan-2-ylquinoline;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-fluoro-7-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylphthalazine;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;5-propan-2-ylquinoline-6-carbonitrile
PubChem CID162084298
Molecular FormulaC222H263ClF4N20O4
Molecular Weight3387.13 g/mol
Exact Mass3384.06
IUPAC Name7-chloro-8-propan-2-ylquinoline;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-fluoro-7-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylphthalazine;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;5-propan-2-ylquinoline-6-carbonitrile
SMILESCC(C)c1c(C#N)ccc2ncccc12.CC(C)c1c(Cl)ccc2cccnc12.CC(C)c1ccc(F)c2cccnc12.CC(C)c1cccc2c1OC(F)(F)O2.CC(C)c1cccc2cnncc12.CC(C)c1cccc2ncncc12.CC(C)c1cccc2nonc12.CC(C)c1cccn2nccc12.COc1ccc(C(C)C)c2c1CCCC2.Cc1cc(C)c(C(C)C)c2c1CCC2.Cc1cc(C)c(C(C)C)c2c1CCCC2.Cc1cc(F)c2cccnc2c1C(C)C.Cc1ccc2c(c1C(C)C)CCCC2.Cc1ccc2cccnc2c1C(C)C.Cc1ccc2cnncc2c1C(C)C.Cc1ccc2ncccc2c1C(C)C.Cc1ccc2ncncc2c1C(C)C.Cc1nc2ccccc2c(C(C)C)c1C
InChIInChI=1S/C15H22.C14H17N.C14H20O.2C14H20.C13H14FN.C13H12N2.2C13H15N.C12H12ClN.C12H12FN.2C12H14N2.2C11H12N2.C10H10F2O2.C10H12N2.C9H10N2O/c1-10(2)15-12(4)9-11(3)13-7-5-6-8-14(13)15;1-9(2)14-10(3)11(4)15-13-8-6-5-7-12(13)14;1-10(2)11-8-9-14(15-3)13-7-5-4-6-12(11)13;1-9(2)14-11(4)8-10(3)12-6-5-7-13(12)14;1-10(2)14-11(3)8-9-12-6-4-5-7-13(12)14;1-8(2)12-9(3)7-11(14)10-5-4-6-15-13(10)12;1-9(2)13-10(8-14)5-6-12-11(13)4-3-7-15-12;1-9(2)13-10(3)6-7-12-11(13)5-4-8-14-12;1-9(2)12-10(3)6-7-11-5-4-8-14-13(11)12;1-8(2)11-10(13)6-5-9-4-3-7-14-12(9)11;1-8(2)9-5-6-11(13)10-4-3-7-14-12(9)10;1-8(2)12-9(3)4-5-11-10(12)6-13-7-14-11;1-8(2)12-9(3)4-5-10-6-13-14-7-11(10)12;1-8(2)9-4-3-5-11-10(9)6-12-7-13-11;1-8(2)10-5-3-4-9-6-12-13-7-11(9)10;1-6(2)7-4-3-5-8-9(7)14-10(11,12)13-8;1-8(2)9-4-3-7-12-10(9)5-6-11-12;1-6(2)7-4-3-5-8-9(7)11-12-10-8/h9-10H,5-8H2,1-4H3;5-9H,1-4H3;8-10H,4-7H2,1-3H3;8-9H,5-7H2,1-4H3;8-10H,4-7H2,1-3H3;4-8H,1-3H3;3-7,9H,1-2H3;2*4-9H,1-3H3;2*3-8H,1-2H3;2*4-8H,1-3H3;2*3-8H,1-2H3;3-6H,1-2H3;3-8H,1-2H3;3-6H,1-2H3
InChIKeyZCTHBQARMNPSDR-UHFFFAOYSA-N
XLogP61.33
TPSA301.05 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms251
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003387.13
LogP ≤ 561.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 7-chloro-8-propan-2-ylquinoline;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-fluoro-7-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylphthalazine;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;5-propan-2-ylquinoline-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2-ethyl-3-methyl-4-propan-2-yl-1,7-naphthyridine;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-yl-3,4-dihydro-1H-isochromene;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline
CID 157572829
1-Chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 159255576
2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-yl-1,7-naphthyridine;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;3-methyl-4-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;2,3,6-trimethyl-4-propan-2-ylquinoline
CID 160546848

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-propan-2-ylquinoline;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-fluoro-7-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylphthalazine;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;5-propan-2-ylquinoline-6-carbonitrile?
The IUPAC name of 7-chloro-8-propan-2-ylquinoline;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-fluoro-7-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylphthalazine;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;5-propan-2-ylquinoline-6-carbonitrile (CID 162084298) is 7-chloro-8-propan-2-ylquinoline;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-fluoro-7-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylphthalazine;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;5-propan-2-ylquinoline-6-carbonitrile.
What is the SMILES notation for 7-chloro-8-propan-2-ylquinoline;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-fluoro-7-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylphthalazine;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;5-propan-2-ylquinoline-6-carbonitrile?
The canonical SMILES for 7-chloro-8-propan-2-ylquinoline;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-fluoro-7-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylphthalazine;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;5-propan-2-ylquinoline-6-carbonitrile is CC(C)c1c(C#N)ccc2ncccc12.CC(C)c1c(Cl)ccc2cccnc12.CC(C)c1ccc(F)c2cccnc12.CC(C)c1cccc2c1OC(F)(F)O2.CC(C)c1cccc2cnncc12.CC(C)c1cccc2ncncc12.CC(C)c1cccc2nonc12.CC(C)c1cccn2nccc12.COc1ccc(C(C)C)c2c1CCCC2.Cc1cc(C)c(C(C)C)c2c1CCC2.Cc1cc(C)c(C(C)C)c2c1CCCC2.Cc1cc(F)c2cccnc2c1C(C)C.Cc1ccc2c(c1C(C)C)CCCC2.Cc1ccc2cccnc2c1C(C)C.Cc1ccc2cnncc2c1C(C)C.Cc1ccc2ncccc2c1C(C)C.Cc1ccc2ncncc2c1C(C)C.Cc1nc2ccccc2c(C(C)C)c1C.
What is the InChIKey of 7-chloro-8-propan-2-ylquinoline;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-fluoro-7-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylphthalazine;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;5-propan-2-ylquinoline-6-carbonitrile?
The InChIKey is ZCTHBQARMNPSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22.C14H17N.C14H20O.2C14H20.C13H14FN.C13H12N2.2C13H15N.C12H12ClN.C12H12FN.2C12H14N2.2C11H12N2.C10H10F2O2.C10H12N2.C9H10N2O/c1-10(2)15-12(4)9-11(3)13-7-5-6-8-14(13)15;1-9(2)14-10(3)11(4)15-13-8-6-5-7-12(13)14;1-10(2)11-8-9-14(15-3)13-7-5-4-6-12(11)13;1-9(2)14-11(4)8-10(3)12-6-5-7-13(12)14;1-10(2)14-11(3)8-9-12-6-4-5-7-13(12)14;1-8(2)12-9(3)7-11(14)10-5-4-6-15-13(10)12;1-9(2)13-10(8-14)5-6-12-11(13)4-3-7-15-12;1-9(2)13-10(3)6-7-12-11(13)5-4-8-14-12;1-9(2)12-10(3)6-7-11-5-4-8-14-13(11)12;1-8(2)11-10(13)6-5-9-4-3-7-14-12(9)11;1-8(2)9-5-6-11(13)10-4-3-7-14-12(9)10;1-8(2)12-9(3)4-5-11-10(12)6-13-7-14-11;1-8(2)12-9(3)4-5-10-6-13-14-7-11(10)12;1-8(2)9-4-3-5-11-10(9)6-12-7-13-11;1-8(2)10-5-3-4-9-6-12-13-7-11(9)10;1-6(2)7-4-3-5-8-9(7)14-10(11,12)13-8;1-8(2)9-4-3-7-12-10(9)5-6-11-12;1-6(2)7-4-3-5-8-9(7)11-12-10-8/h9-10H,5-8H2,1-4H3;5-9H,1-4H3;8-10H,4-7H2,1-3H3;8-9H,5-7H2,1-4H3;8-10H,4-7H2,1-3H3;4-8H,1-3H3;3-7,9H,1-2H3;2*4-9H,1-3H3;2*3-8H,1-2H3;2*4-8H,1-3H3;2*3-8H,1-2H3;3-6H,1-2H3;3-8H,1-2H3;3-6H,1-2H3.
What are the key properties of 7-chloro-8-propan-2-ylquinoline;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-fluoro-7-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylphthalazine;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;5-propan-2-ylquinoline-6-carbonitrile?
7-chloro-8-propan-2-ylquinoline;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-fluoro-7-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylphthalazine;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;5-propan-2-ylquinoline-6-carbonitrile has a molecular weight of 3387.13 g/mol, XLogP of 61.33, 19 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-propan-2-ylquinoline;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-fluoro-7-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylphthalazine;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;5-propan-2-ylquinoline-6-carbonitrile is sourced from PubChem (CID 162084298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).