1-chloro-5-propan-2-ylnaphthalene;8-chloro-5-propan-2-ylquinoline;2-ethyl-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylnaphthalene;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;3-propan-2-ylquinoline;7-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile

C193H202Cl2F3N17O2 — CID 159631372

IUPAC1-chloro-5-propan-2-ylnaphthalene;8-chloro-5-propan-2-ylquinoline;2-ethyl-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylnaphthalene;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;3-propan-2-ylquinoline;7-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile
SMILESCC(C)c1ccc(C#N)c2cnccc12.CC(C)c1ccc(C#N)c2ncccc12.CC(C)c1ccc(Cl)c2ncccc12.CC(C)c1ccc(F)c2cnccc12.CC(C)c1ccc(F)c2ncccc12.CC(C)c1ccc2cccnc2c1.CC(C)c1cccc2c(C#N)nccc12.CC(C)c1cccc2c(Cl)cccc12.CC(C)c1cccc2cnc(C#N)cc12.CC(C)c1cccc2nc(C(C)F)ccc12.CC(C)c1cnc2ccccc2c1.CCc1ccc2c(C(C)C)cccc2n1.COc1cccc2c(C(C)C)cccc12.COc1ccnc2cccc(C(C)C)c12.Cc1cc2c(C(C)C)cccc2cn1
InChIInChI=1S/C14H16FN.C14H17N.C14H16O.C13H13Cl.4C13H12N2.C13H15NO.C13H15N.C12H12ClN.2C12H12FN.2C12H13N/c1-9(2)11-5-4-6-14-12(11)7-8-13(16-14)10(3)15;1-4-11-8-9-13-12(10(2)3)6-5-7-14(13)15-11;1-10(2)11-6-4-8-13-12(11)7-5-9-14(13)15-3;1-9(2)10-5-3-7-12-11(10)6-4-8-13(12)14;1-9(2)11-4-3-10(7-14)13-8-15-6-5-12(11)13;1-9(2)11-6-5-10(8-14)13-12(11)4-3-7-15-13;1-9(2)12-5-3-4-10-8-15-11(7-14)6-13(10)12;1-9(2)10-4-3-5-12-11(10)6-7-15-13(12)8-14;1-9(2)10-5-4-6-11-13(10)12(15-3)7-8-14-11;1-9(2)12-6-4-5-11-8-14-10(3)7-13(11)12;1-8(2)9-5-6-11(13)12-10(9)4-3-7-14-12;1-8(2)9-3-4-12(13)11-7-14-6-5-10(9)11;1-8(2)9-5-6-11(13)12-10(9)4-3-7-14-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11/h4-10H,1-3H3;5-10H,4H2,1-3H3;4-10H,1-3H3;3-9H,1-2H3;3-6,8-9H,1-2H3;3-7,9H,1-2H3;3-6,8-9H,1-2H3;3-7,9H,1-2H3;4-9H,1-3H3;4-9H,1-3H3;3*3-8H,1-2H3;2*3-9H,1-2H3
InChIKeyMPEBQPDEIREYCW-UHFFFAOYSA-N
MW2919.76 g/mol
LogP54.57
Rot. Bonds19

About 1-chloro-5-propan-2-ylnaphthalene;8-chloro-5-propan-2-ylquinoline;2-ethyl-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylnaphthalene;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;3-propan-2-ylquinoline;7-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile

1-chloro-5-propan-2-ylnaphthalene;8-chloro-5-propan-2-ylquinoline;2-ethyl-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylnaphthalene;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;3-propan-2-ylquinoline;7-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile (PubChem CID 159631372) has the molecular formula C193H202Cl2F3N17O2 and a molecular weight of 2919.76 g/mol. Its IUPAC name is 1-chloro-5-propan-2-ylnaphthalene;8-chloro-5-propan-2-ylquinoline;2-ethyl-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylnaphthalene;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;3-propan-2-ylquinoline;7-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile.

Molecular Properties

Compound Name1-chloro-5-propan-2-ylnaphthalene;8-chloro-5-propan-2-ylquinoline;2-ethyl-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylnaphthalene;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;3-propan-2-ylquinoline;7-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile
PubChem CID159631372
Molecular FormulaC193H202Cl2F3N17O2
Molecular Weight2919.76 g/mol
Exact Mass2916.56
IUPAC Name1-chloro-5-propan-2-ylnaphthalene;8-chloro-5-propan-2-ylquinoline;2-ethyl-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylnaphthalene;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;3-propan-2-ylquinoline;7-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile
SMILESCC(C)c1ccc(C#N)c2cnccc12.CC(C)c1ccc(C#N)c2ncccc12.CC(C)c1ccc(Cl)c2ncccc12.CC(C)c1ccc(F)c2cnccc12.CC(C)c1ccc(F)c2ncccc12.CC(C)c1ccc2cccnc2c1.CC(C)c1cccc2c(C#N)nccc12.CC(C)c1cccc2c(Cl)cccc12.CC(C)c1cccc2cnc(C#N)cc12.CC(C)c1cccc2nc(C(C)F)ccc12.CC(C)c1cnc2ccccc2c1.CCc1ccc2c(C(C)C)cccc2n1.COc1cccc2c(C(C)C)cccc12.COc1ccnc2cccc(C(C)C)c12.Cc1cc2c(C(C)C)cccc2cn1
InChIInChI=1S/C14H16FN.C14H17N.C14H16O.C13H13Cl.4C13H12N2.C13H15NO.C13H15N.C12H12ClN.2C12H12FN.2C12H13N/c1-9(2)11-5-4-6-14-12(11)7-8-13(16-14)10(3)15;1-4-11-8-9-13-12(10(2)3)6-5-7-14(13)15-11;1-10(2)11-6-4-8-13-12(11)7-5-9-14(13)15-3;1-9(2)10-5-3-7-12-11(10)6-4-8-13(12)14;1-9(2)11-4-3-10(7-14)13-8-15-6-5-12(11)13;1-9(2)11-6-5-10(8-14)13-12(11)4-3-7-15-13;1-9(2)12-5-3-4-10-8-15-11(7-14)6-13(10)12;1-9(2)10-4-3-5-12-11(10)6-7-15-13(12)8-14;1-9(2)10-5-4-6-11-13(10)12(15-3)7-8-14-11;1-9(2)12-6-4-5-11-8-14-10(3)7-13(11)12;1-8(2)9-5-6-11(13)12-10(9)4-3-7-14-12;1-8(2)9-3-4-12(13)11-7-14-6-5-10(9)11;1-8(2)9-5-6-11(13)12-10(9)4-3-7-14-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11/h4-10H,1-3H3;5-10H,4H2,1-3H3;4-10H,1-3H3;3-9H,1-2H3;3-6,8-9H,1-2H3;3-7,9H,1-2H3;3-6,8-9H,1-2H3;3-7,9H,1-2H3;4-9H,1-3H3;4-9H,1-3H3;3*3-8H,1-2H3;2*3-9H,1-2H3
InChIKeyMPEBQPDEIREYCW-UHFFFAOYSA-N
XLogP54.57
TPSA281.19 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms217
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002919.76
LogP ≤ 554.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 1-chloro-5-propan-2-ylnaphthalene;8-chloro-5-propan-2-ylquinoline;2-ethyl-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylnaphthalene;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;3-propan-2-ylquinoline;7-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

2-Chloro-1-methyl-4-propan-2-ylbenzene;3-chloro-2-methyl-5-propan-2-ylpyridine;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylbenzonitrile;2-methyl-5-propan-2-ylbenzonitrile;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157428279
5-Chloro-2-methoxy-3-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 157474227
2-Chloro-3-fluoro-1-methyl-4-propan-2-ylbenzene;2-chloro-5-fluoro-4-propan-2-ylbenzonitrile;2-chloro-1-methyl-4-propan-2-ylbenzene;3-chloro-5-propan-2-ylpyridine-2-carbonitrile;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;methane;2-methoxy-1-methyl-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene);2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine;4-propan-2-ylbenzonitrile
CID 157515403
4-bromo-1-methyl-2-propan-2-ylbenzene;4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;1-(1,1-difluoroethyl)-4-methyl-2-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-4-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;4-phenyl-2-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine
CID 157856083
5-chloro-3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene;8-chloro-1-ethyl-7-propan-2-yl-3,4-dihydro-2H-quinoline;5-chloro-8-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;8-chloro-1-methyl-7-propan-2-yl-3,4-dihydro-2H-quinoline;1-chloro-2-propan-2-ylnaphthalene;8-chloro-7-propan-2-yl-1,2,3,4-tetrahydroquinoline;4,4-difluoro-6-propan-2-yl-2,3-dihydro-1H-naphthalene;4,4-difluoro-7-propan-2-yl-2,3-dihydro-1H-naphthalene;1,8-dimethyl-7-propan-2-yl-3,4-dihydro-2H-quinoline;1-ethyl-8-methyl-7-propan-2-yl-3,4-dihydro-2H-quinoline;7-fluoro-5-methyl-8-propan-2-ylquinoline;4-methyl-8-propan-2-ylquinoline;bis(5-methyl-8-propan-2-ylquinoline);bis(8-methyl-7-propan-2-yl-1,2,3,4-tetrahydroquinoline);10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;8-propan-2-ylquinoline
CID 157859159
2-Chloro-3-fluoro-1-methyl-4-propan-2-ylbenzene;2-chloro-5-fluoro-4-propan-2-ylbenzonitrile;2-chloro-4-propan-2-ylbenzonitrile;3-chloro-5-propan-2-ylpyridine-2-carbonitrile;2-fluoro-4-propan-2-ylbenzonitrile;methane;2-methoxy-4-propan-2-ylbenzonitrile;2-methyl-4-propan-2-ylbenzonitrile;2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine;1-nitro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-propan-2-ylbenzonitrile;4-propan-2-yl-2-(trifluoromethyl)benzonitrile
CID 158142045
8-Chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline
CID 158273275
7-Chloro-3-methyl-8-propan-2-ylquinoline;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);1-fluoro-2-methyl-3-propan-2-ylbenzene;bis(1-fluoro-3-methyl-2-propan-2-ylbenzene);2-fluoro-6-propan-2-ylpyridine;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-3-propan-2-ylnaphthalene;2-phenyl-6-propan-2-ylpyridine;2-propan-2-ylquinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 158528158
2-Chloro-3-fluoro-1-methyl-4-propan-2-ylbenzene;2-chloro-5-fluoro-4-propan-2-ylbenzonitrile;2-chloro-1-methyl-4-propan-2-ylbenzene;3-chloro-5-propan-2-ylpyridine-2-carbonitrile;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene);2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine;4-propan-2-ylbenzonitrile
CID 158634433
2-Chloro-1-methyl-4-propan-2-ylbenzene;3-chloro-2-methyl-5-propan-2-ylpyridine;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-methoxy-4-propan-2-ylbenzonitrile;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine
CID 158693386
5-chloro-3,3-difluoro-8-methyl-6-propan-2-yl-2,4-dihydrochromene;5-chloro-4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;5-chloro-8-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;5-chloro-8-propan-2-ylquinoline;5-chloro-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4,4-difluoro-6-propan-2-yl-2,3-dihydro-1H-naphthalene;4,4-difluoro-7-propan-2-yl-2,3-dihydro-1H-naphthalene;4,5-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;8-propan-2-ylquinoline
CID 158706595
1-Chloro-4-fluoro-2-methyl-5-propan-2-ylbenzene;2-chloro-3-fluoro-1-methyl-4-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;3-chloro-2-methyl-5-propan-2-ylpyridine;bis(2-(difluoromethyl)-1-methyl-4-propan-2-ylbenzene);1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;methane;2-methoxy-1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine;4-propan-2-ylbenzonitrile
CID 158742040

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-propan-2-ylnaphthalene;8-chloro-5-propan-2-ylquinoline;2-ethyl-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylnaphthalene;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;3-propan-2-ylquinoline;7-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile?
The IUPAC name of 1-chloro-5-propan-2-ylnaphthalene;8-chloro-5-propan-2-ylquinoline;2-ethyl-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylnaphthalene;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;3-propan-2-ylquinoline;7-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile (CID 159631372) is 1-chloro-5-propan-2-ylnaphthalene;8-chloro-5-propan-2-ylquinoline;2-ethyl-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylnaphthalene;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;3-propan-2-ylquinoline;7-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile.
What is the SMILES notation for 1-chloro-5-propan-2-ylnaphthalene;8-chloro-5-propan-2-ylquinoline;2-ethyl-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylnaphthalene;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;3-propan-2-ylquinoline;7-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile?
The canonical SMILES for 1-chloro-5-propan-2-ylnaphthalene;8-chloro-5-propan-2-ylquinoline;2-ethyl-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylnaphthalene;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;3-propan-2-ylquinoline;7-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile is CC(C)c1ccc(C#N)c2cnccc12.CC(C)c1ccc(C#N)c2ncccc12.CC(C)c1ccc(Cl)c2ncccc12.CC(C)c1ccc(F)c2cnccc12.CC(C)c1ccc(F)c2ncccc12.CC(C)c1ccc2cccnc2c1.CC(C)c1cccc2c(C#N)nccc12.CC(C)c1cccc2c(Cl)cccc12.CC(C)c1cccc2cnc(C#N)cc12.CC(C)c1cccc2nc(C(C)F)ccc12.CC(C)c1cnc2ccccc2c1.CCc1ccc2c(C(C)C)cccc2n1.COc1cccc2c(C(C)C)cccc12.COc1ccnc2cccc(C(C)C)c12.Cc1cc2c(C(C)C)cccc2cn1.
What is the InChIKey of 1-chloro-5-propan-2-ylnaphthalene;8-chloro-5-propan-2-ylquinoline;2-ethyl-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylnaphthalene;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;3-propan-2-ylquinoline;7-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile?
The InChIKey is MPEBQPDEIREYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN.C14H17N.C14H16O.C13H13Cl.4C13H12N2.C13H15NO.C13H15N.C12H12ClN.2C12H12FN.2C12H13N/c1-9(2)11-5-4-6-14-12(11)7-8-13(16-14)10(3)15;1-4-11-8-9-13-12(10(2)3)6-5-7-14(13)15-11;1-10(2)11-6-4-8-13-12(11)7-5-9-14(13)15-3;1-9(2)10-5-3-7-12-11(10)6-4-8-13(12)14;1-9(2)11-4-3-10(7-14)13-8-15-6-5-12(11)13;1-9(2)11-6-5-10(8-14)13-12(11)4-3-7-15-13;1-9(2)12-5-3-4-10-8-15-11(7-14)6-13(10)12;1-9(2)10-4-3-5-12-11(10)6-7-15-13(12)8-14;1-9(2)10-5-4-6-11-13(10)12(15-3)7-8-14-11;1-9(2)12-6-4-5-11-8-14-10(3)7-13(11)12;1-8(2)9-5-6-11(13)12-10(9)4-3-7-14-12;1-8(2)9-3-4-12(13)11-7-14-6-5-10(9)11;1-8(2)9-5-6-11(13)12-10(9)4-3-7-14-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11/h4-10H,1-3H3;5-10H,4H2,1-3H3;4-10H,1-3H3;3-9H,1-2H3;3-6,8-9H,1-2H3;3-7,9H,1-2H3;3-6,8-9H,1-2H3;3-7,9H,1-2H3;4-9H,1-3H3;4-9H,1-3H3;3*3-8H,1-2H3;2*3-9H,1-2H3.
What are the key properties of 1-chloro-5-propan-2-ylnaphthalene;8-chloro-5-propan-2-ylquinoline;2-ethyl-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylnaphthalene;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;3-propan-2-ylquinoline;7-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile?
1-chloro-5-propan-2-ylnaphthalene;8-chloro-5-propan-2-ylquinoline;2-ethyl-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylnaphthalene;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;3-propan-2-ylquinoline;7-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile has a molecular weight of 2919.76 g/mol, XLogP of 54.57, 19 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-propan-2-ylnaphthalene;8-chloro-5-propan-2-ylquinoline;2-ethyl-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylnaphthalene;4-methoxy-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline-1-carbonitrile;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;3-propan-2-ylquinoline;7-propan-2-ylquinoline;5-propan-2-ylquinoline-8-carbonitrile is sourced from PubChem (CID 159631372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).