(8S)-3-chloro-8-methyl-5,6,7,8-tetrahydroquinoline;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;(8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;(7S)-7-methyl-5a,6,6a,7-tetrahydro-5H-cyclopropa[g]quinoline;(3S)-3-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline;(7S)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(9S)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyridine

C220H282Cl2F7N23O2 — CID 159400926

IUPAC(8S)-3-chloro-8-methyl-5,6,7,8-tetrahydroquinoline;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;(8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;(7S)-7-methyl-5a,6,6a,7-tetrahydro-5H-cyclopropa[g]quinoline;(3S)-3-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline;(7S)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(9S)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESCC(C)c1cc(C2CC2)ccn1.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ncccc1C1CC1.COc1ccc(C(C)C)nc1.COc1cccnc1C(C)C.C[C@@H]1c2ncccc2CC2CC21.C[C@@H]1c2ncccc2CCC12CC2.C[C@H]1CC2(CC2)Cc2cccnc21.C[C@H]1CC2CC2c2cccnc21.C[C@H]1CCC(F)(F)c2cccnc21.C[C@H]1CCC2(CC2)c2cccnc21.C[C@H]1CCCCc2cccnc21.C[C@H]1CCCc2cc(Cl)cnc21.C[C@H]1CCCc2cc(F)cnc21.C[C@H]1CCc2cccnc21.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1.Cc1cnc2c(c1)CCC[C@@H]2C
InChIInChI=1S/3C12H15N.2C11H13N.4C11H15N.C10H12ClN.C10H11F2N.C10H12FN.C9H10F3N.C9H10N2.2C9H13NO.C9H11N.3C9H13N.C8H10ClN.C8H10FN/c1-9-11-10(3-2-8-13-11)4-5-12(9)6-7-12;1-9-4-5-12(6-7-12)10-3-2-8-13-11(9)10;1-9-7-12(4-5-12)8-10-3-2-6-13-11(9)10;1-7-10-6-9(10)5-8-3-2-4-12-11(7)8;1-7-5-8-6-10(8)9-3-2-4-12-11(7)9;1-8(2)11-7-10(5-6-12-11)9-3-4-9;1-8(2)11-10(9-5-6-9)4-3-7-12-11;1-8-6-10-5-3-4-9(2)11(10)12-7-8;1-9-5-2-3-6-10-7-4-8-12-11(9)10;1-7-3-2-4-8-5-9(11)6-12-10(7)8;1-7-4-5-10(11,12)8-3-2-6-13-9(7)8;1-7-3-2-4-8-5-9(11)6-12-10(7)8;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)9-5-4-8(11-3)6-10-9;1-7(2)9-8(11-3)5-4-6-10-9;1-7-4-5-8-3-2-6-10-9(7)8;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-6-4-5-8(3)10-9;2*1-6(2)8-4-3-7(9)5-10-8/h2*2-3,8-9H,4-7H2,1H3;2-3,6,9H,4-5,7-8H2,1H3;2-4,7,9-10H,5-6H2,1H3;2-4,7-8,10H,5-6H2,1H3;5-9H,3-4H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;6-7,9H,3-5H2,1-2H3;4,7-9H,2-3,5-6H2,1H3;5-7H,2-4H2,1H3;2-3,6-7H,4-5H2,1H3;5-7H,2-4H2,1H3;3-6H,1-2H3;3-4,6-7H,1-2H3;2*4-7H,1-3H3;2-3,6-7H,4-5H2,1H3;3*4-7H,1-3H3;2*3-6H,1-2H3/t3*9-;7-,9?,10?;7-,8?,10?;;;2*9-;3*7-;;;;;7-;;;;;/m10000..00000....0...../s1
InChIKeyLNIFHSQDQBYJHY-IRRXWQDXSA-N
MW3484.73 g/mol
LogP59.32
Rot. Bonds15

About (8S)-3-chloro-8-methyl-5,6,7,8-tetrahydroquinoline;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;(8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;(7S)-7-methyl-5a,6,6a,7-tetrahydro-5H-cyclopropa[g]quinoline;(3S)-3-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline;(7S)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(9S)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyridine

(8S)-3-chloro-8-methyl-5,6,7,8-tetrahydroquinoline;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;(8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;(7S)-7-methyl-5a,6,6a,7-tetrahydro-5H-cyclopropa[g]quinoline;(3S)-3-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline;(7S)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(9S)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyridine (PubChem CID 159400926) has the molecular formula C220H282Cl2F7N23O2 and a molecular weight of 3484.73 g/mol. Its IUPAC name is (8S)-3-chloro-8-methyl-5,6,7,8-tetrahydroquinoline;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;(8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;(7S)-7-methyl-5a,6,6a,7-tetrahydro-5H-cyclopropa[g]quinoline;(3S)-3-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline;(7S)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(9S)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name(8S)-3-chloro-8-methyl-5,6,7,8-tetrahydroquinoline;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;(8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;(7S)-7-methyl-5a,6,6a,7-tetrahydro-5H-cyclopropa[g]quinoline;(3S)-3-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline;(7S)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(9S)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyridine
PubChem CID159400926
Molecular FormulaC220H282Cl2F7N23O2
Molecular Weight3484.73 g/mol
Exact Mass3481.19
IUPAC Name(8S)-3-chloro-8-methyl-5,6,7,8-tetrahydroquinoline;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;(8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;(7S)-7-methyl-5a,6,6a,7-tetrahydro-5H-cyclopropa[g]quinoline;(3S)-3-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline;(7S)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(9S)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESCC(C)c1cc(C2CC2)ccn1.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ncccc1C1CC1.COc1ccc(C(C)C)nc1.COc1cccnc1C(C)C.C[C@@H]1c2ncccc2CC2CC21.C[C@@H]1c2ncccc2CCC12CC2.C[C@H]1CC2(CC2)Cc2cccnc21.C[C@H]1CC2CC2c2cccnc21.C[C@H]1CCC(F)(F)c2cccnc21.C[C@H]1CCC2(CC2)c2cccnc21.C[C@H]1CCCCc2cccnc21.C[C@H]1CCCc2cc(Cl)cnc21.C[C@H]1CCCc2cc(F)cnc21.C[C@H]1CCc2cccnc21.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1.Cc1cnc2c(c1)CCC[C@@H]2C
InChIInChI=1S/3C12H15N.2C11H13N.4C11H15N.C10H12ClN.C10H11F2N.C10H12FN.C9H10F3N.C9H10N2.2C9H13NO.C9H11N.3C9H13N.C8H10ClN.C8H10FN/c1-9-11-10(3-2-8-13-11)4-5-12(9)6-7-12;1-9-4-5-12(6-7-12)10-3-2-8-13-11(9)10;1-9-7-12(4-5-12)8-10-3-2-6-13-11(9)10;1-7-10-6-9(10)5-8-3-2-4-12-11(7)8;1-7-5-8-6-10(8)9-3-2-4-12-11(7)9;1-8(2)11-7-10(5-6-12-11)9-3-4-9;1-8(2)11-10(9-5-6-9)4-3-7-12-11;1-8-6-10-5-3-4-9(2)11(10)12-7-8;1-9-5-2-3-6-10-7-4-8-12-11(9)10;1-7-3-2-4-8-5-9(11)6-12-10(7)8;1-7-4-5-10(11,12)8-3-2-6-13-9(7)8;1-7-3-2-4-8-5-9(11)6-12-10(7)8;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)9-5-4-8(11-3)6-10-9;1-7(2)9-8(11-3)5-4-6-10-9;1-7-4-5-8-3-2-6-10-9(7)8;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-6-4-5-8(3)10-9;2*1-6(2)8-4-3-7(9)5-10-8/h2*2-3,8-9H,4-7H2,1H3;2-3,6,9H,4-5,7-8H2,1H3;2-4,7,9-10H,5-6H2,1H3;2-4,7-8,10H,5-6H2,1H3;5-9H,3-4H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;6-7,9H,3-5H2,1-2H3;4,7-9H,2-3,5-6H2,1H3;5-7H,2-4H2,1H3;2-3,6-7H,4-5H2,1H3;5-7H,2-4H2,1H3;3-6H,1-2H3;3-4,6-7H,1-2H3;2*4-7H,1-3H3;2-3,6-7H,4-5H2,1H3;3*4-7H,1-3H3;2*3-6H,1-2H3/t3*9-;7-,9?,10?;7-,8?,10?;;;2*9-;3*7-;;;;;7-;;;;;/m10000..00000....0...../s1
InChIKeyLNIFHSQDQBYJHY-IRRXWQDXSA-N
XLogP59.32
TPSA325.83 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms254
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003484.73
LogP ≤ 559.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze (8S)-3-chloro-8-methyl-5,6,7,8-tetrahydroquinoline;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;(8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;(7S)-7-methyl-5a,6,6a,7-tetrahydro-5H-cyclopropa[g]quinoline;(3S)-3-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline;(7S)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(9S)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8S)-3-chloro-8-methyl-5,6,7,8-tetrahydroquinoline;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;(8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;(7S)-7-methyl-5a,6,6a,7-tetrahydro-5H-cyclopropa[g]quinoline;(3S)-3-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline;(7S)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(9S)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The IUPAC name of (8S)-3-chloro-8-methyl-5,6,7,8-tetrahydroquinoline;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;(8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;(7S)-7-methyl-5a,6,6a,7-tetrahydro-5H-cyclopropa[g]quinoline;(3S)-3-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline;(7S)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(9S)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyridine (CID 159400926) is (8S)-3-chloro-8-methyl-5,6,7,8-tetrahydroquinoline;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;(8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;(7S)-7-methyl-5a,6,6a,7-tetrahydro-5H-cyclopropa[g]quinoline;(3S)-3-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline;(7S)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(9S)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for (8S)-3-chloro-8-methyl-5,6,7,8-tetrahydroquinoline;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;(8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;(7S)-7-methyl-5a,6,6a,7-tetrahydro-5H-cyclopropa[g]quinoline;(3S)-3-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline;(7S)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(9S)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The canonical SMILES for (8S)-3-chloro-8-methyl-5,6,7,8-tetrahydroquinoline;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;(8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;(7S)-7-methyl-5a,6,6a,7-tetrahydro-5H-cyclopropa[g]quinoline;(3S)-3-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline;(7S)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(9S)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyridine is CC(C)c1cc(C2CC2)ccn1.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ncccc1C1CC1.COc1ccc(C(C)C)nc1.COc1cccnc1C(C)C.C[C@@H]1c2ncccc2CC2CC21.C[C@@H]1c2ncccc2CCC12CC2.C[C@H]1CC2(CC2)Cc2cccnc21.C[C@H]1CC2CC2c2cccnc21.C[C@H]1CCC(F)(F)c2cccnc21.C[C@H]1CCC2(CC2)c2cccnc21.C[C@H]1CCCCc2cccnc21.C[C@H]1CCCc2cc(Cl)cnc21.C[C@H]1CCCc2cc(F)cnc21.C[C@H]1CCc2cccnc21.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1.Cc1cnc2c(c1)CCC[C@@H]2C.
What is the InChIKey of (8S)-3-chloro-8-methyl-5,6,7,8-tetrahydroquinoline;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;(8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;(7S)-7-methyl-5a,6,6a,7-tetrahydro-5H-cyclopropa[g]quinoline;(3S)-3-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline;(7S)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(9S)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The InChIKey is LNIFHSQDQBYJHY-IRRXWQDXSA-N. The full InChI is InChI=1S/3C12H15N.2C11H13N.4C11H15N.C10H12ClN.C10H11F2N.C10H12FN.C9H10F3N.C9H10N2.2C9H13NO.C9H11N.3C9H13N.C8H10ClN.C8H10FN/c1-9-11-10(3-2-8-13-11)4-5-12(9)6-7-12;1-9-4-5-12(6-7-12)10-3-2-8-13-11(9)10;1-9-7-12(4-5-12)8-10-3-2-6-13-11(9)10;1-7-10-6-9(10)5-8-3-2-4-12-11(7)8;1-7-5-8-6-10(8)9-3-2-4-12-11(7)9;1-8(2)11-7-10(5-6-12-11)9-3-4-9;1-8(2)11-10(9-5-6-9)4-3-7-12-11;1-8-6-10-5-3-4-9(2)11(10)12-7-8;1-9-5-2-3-6-10-7-4-8-12-11(9)10;1-7-3-2-4-8-5-9(11)6-12-10(7)8;1-7-4-5-10(11,12)8-3-2-6-13-9(7)8;1-7-3-2-4-8-5-9(11)6-12-10(7)8;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)9-5-4-8(11-3)6-10-9;1-7(2)9-8(11-3)5-4-6-10-9;1-7-4-5-8-3-2-6-10-9(7)8;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-6-4-5-8(3)10-9;2*1-6(2)8-4-3-7(9)5-10-8/h2*2-3,8-9H,4-7H2,1H3;2-3,6,9H,4-5,7-8H2,1H3;2-4,7,9-10H,5-6H2,1H3;2-4,7-8,10H,5-6H2,1H3;5-9H,3-4H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;6-7,9H,3-5H2,1-2H3;4,7-9H,2-3,5-6H2,1H3;5-7H,2-4H2,1H3;2-3,6-7H,4-5H2,1H3;5-7H,2-4H2,1H3;3-6H,1-2H3;3-4,6-7H,1-2H3;2*4-7H,1-3H3;2-3,6-7H,4-5H2,1H3;3*4-7H,1-3H3;2*3-6H,1-2H3/t3*9-;7-,9?,10?;7-,8?,10?;;;2*9-;3*7-;;;;;7-;;;;;/m10000..00000....0...../s1.
What are the key properties of (8S)-3-chloro-8-methyl-5,6,7,8-tetrahydroquinoline;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;(8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;(7S)-7-methyl-5a,6,6a,7-tetrahydro-5H-cyclopropa[g]quinoline;(3S)-3-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline;(7S)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(9S)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyridine?
(8S)-3-chloro-8-methyl-5,6,7,8-tetrahydroquinoline;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;(8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;(7S)-7-methyl-5a,6,6a,7-tetrahydro-5H-cyclopropa[g]quinoline;(3S)-3-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline;(7S)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(9S)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyridine has a molecular weight of 3484.73 g/mol, XLogP of 59.32, 15 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-3-chloro-8-methyl-5,6,7,8-tetrahydroquinoline;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;(8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;(7S)-7-methyl-5a,6,6a,7-tetrahydro-5H-cyclopropa[g]quinoline;(3S)-3-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline;(7S)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(9S)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 159400926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).