[(7S)-2,7-dimethyl-8,9-dihydro-7H-pyrido[2,3-g]quinolin-6-yl]-phenylmethanone

C21H20N2O — CID 7053292

IUPAC[(7S)-2,7-dimethyl-8,9-dihydro-7H-pyrido[2,3-g]quinolin-6-yl]-phenylmethanone
SMILESCc1ccc2cc3c(cc2n1)CC[C@H](C)N3C(=O)c1ccccc1
InChIInChI=1S/C21H20N2O/c1-14-8-10-17-13-20-18(12-19(17)22-14)11-9-15(2)23(20)21(24)16-6-4-3-5-7-16/h3-8,10,12-13,15H,9,11H2,1-2H3/t15-/m0/s1
InChIKeyHVCPUUQTMVDSNJ-HNNXBMFYSA-N
MW316.40 g/mol
LogP4.52
Rot. Bonds1

About [(7S)-2,7-dimethyl-8,9-dihydro-7H-pyrido[2,3-g]quinolin-6-yl]-phenylmethanone

[(7S)-2,7-dimethyl-8,9-dihydro-7H-pyrido[2,3-g]quinolin-6-yl]-phenylmethanone (PubChem CID 7053292) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is [(7S)-2,7-dimethyl-8,9-dihydro-7H-pyrido[2,3-g]quinolin-6-yl]-phenylmethanone.

Molecular Properties

Compound Name[(7S)-2,7-dimethyl-8,9-dihydro-7H-pyrido[2,3-g]quinolin-6-yl]-phenylmethanone
PubChem CID7053292
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name[(7S)-2,7-dimethyl-8,9-dihydro-7H-pyrido[2,3-g]quinolin-6-yl]-phenylmethanone
SMILESCc1ccc2cc3c(cc2n1)CC[C@H](C)N3C(=O)c1ccccc1
InChIInChI=1S/C21H20N2O/c1-14-8-10-17-13-20-18(12-19(17)22-14)11-9-15(2)23(20)21(24)16-6-4-3-5-7-16/h3-8,10,12-13,15H,9,11H2,1-2H3/t15-/m0/s1
InChIKeyHVCPUUQTMVDSNJ-HNNXBMFYSA-N
XLogP4.52
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(7S)-2,7-dimethyl-8,9-dihydro-7H-pyrido[2,3-g]quinolin-6-yl]-phenylmethanone with MolForge

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Related Compounds

[(7R)-2,7-dimethyl-8,9-dihydro-7H-pyrido[2,3-g]quinolin-6-yl]-phenylmethanone
CID 7053293
[(2S,7S)-1-benzoyl-2,7-dimethyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinolin-6-yl]-phenylmethanone
CID 7053300
(2,3-diphenylquinoxalin-6-yl)-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 27307310
[3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 4200957
(4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112765959
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(1,5-diphenyl-1,2,4-triazol-3-yl)-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 25363059
(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-2-phenylquinolin-4-yl)methanone
CID 4079910
[6-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]-phenylmethanone
CID 50742595
(3R,4S)-1-[(2-methylquinolin-6-yl)methyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 167885486
(2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)-phenylmethanone
CID 10515904
[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 71970640

Frequently Asked Questions

What is the IUPAC name of [(7S)-2,7-dimethyl-8,9-dihydro-7H-pyrido[2,3-g]quinolin-6-yl]-phenylmethanone?
The IUPAC name of [(7S)-2,7-dimethyl-8,9-dihydro-7H-pyrido[2,3-g]quinolin-6-yl]-phenylmethanone (CID 7053292) is [(7S)-2,7-dimethyl-8,9-dihydro-7H-pyrido[2,3-g]quinolin-6-yl]-phenylmethanone.
What is the SMILES notation for [(7S)-2,7-dimethyl-8,9-dihydro-7H-pyrido[2,3-g]quinolin-6-yl]-phenylmethanone?
The canonical SMILES for [(7S)-2,7-dimethyl-8,9-dihydro-7H-pyrido[2,3-g]quinolin-6-yl]-phenylmethanone is Cc1ccc2cc3c(cc2n1)CC[C@H](C)N3C(=O)c1ccccc1.
What is the InChIKey of [(7S)-2,7-dimethyl-8,9-dihydro-7H-pyrido[2,3-g]quinolin-6-yl]-phenylmethanone?
The InChIKey is HVCPUUQTMVDSNJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-14-8-10-17-13-20-18(12-19(17)22-14)11-9-15(2)23(20)21(24)16-6-4-3-5-7-16/h3-8,10,12-13,15H,9,11H2,1-2H3/t15-/m0/s1.
What are the key properties of [(7S)-2,7-dimethyl-8,9-dihydro-7H-pyrido[2,3-g]quinolin-6-yl]-phenylmethanone?
[(7S)-2,7-dimethyl-8,9-dihydro-7H-pyrido[2,3-g]quinolin-6-yl]-phenylmethanone has a molecular weight of 316.40 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-2,7-dimethyl-8,9-dihydro-7H-pyrido[2,3-g]quinolin-6-yl]-phenylmethanone is sourced from PubChem (CID 7053292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).