[(2S,7S)-1-benzoyl-2,7-dimethyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinolin-6-yl]-phenylmethanone

C28H28N2O2 — CID 7053300

IUPAC[(2S,7S)-1-benzoyl-2,7-dimethyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinolin-6-yl]-phenylmethanone
SMILESC[C@H]1CCc2cc3c(cc2N1C(=O)c1ccccc1)CC[C@H](C)N3C(=O)c1ccccc1
InChIInChI=1S/C28H28N2O2/c1-19-13-15-23-18-26-24(17-25(23)29(19)27(31)21-9-5-3-6-10-21)16-14-20(2)30(26)28(32)22-11-7-4-8-12-22/h3-12,17-20H,13-16H2,1-2H3/t19-,20-/m0/s1
InChIKeyVQFBLKMLTRLLEV-PMACEKPBSA-N
MW424.54 g/mol
LogP5.65
Rot. Bonds2

About [(2S,7S)-1-benzoyl-2,7-dimethyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinolin-6-yl]-phenylmethanone

[(2S,7S)-1-benzoyl-2,7-dimethyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinolin-6-yl]-phenylmethanone (PubChem CID 7053300) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is [(2S,7S)-1-benzoyl-2,7-dimethyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinolin-6-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S,7S)-1-benzoyl-2,7-dimethyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinolin-6-yl]-phenylmethanone
PubChem CID7053300
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC Name[(2S,7S)-1-benzoyl-2,7-dimethyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinolin-6-yl]-phenylmethanone
SMILESC[C@H]1CCc2cc3c(cc2N1C(=O)c1ccccc1)CC[C@H](C)N3C(=O)c1ccccc1
InChIInChI=1S/C28H28N2O2/c1-19-13-15-23-18-26-24(17-25(23)29(19)27(31)21-9-5-3-6-10-21)16-14-20(2)30(26)28(32)22-11-7-4-8-12-22/h3-12,17-20H,13-16H2,1-2H3/t19-,20-/m0/s1
InChIKeyVQFBLKMLTRLLEV-PMACEKPBSA-N
XLogP5.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(2S,7S)-1-benzoyl-2,7-dimethyl-2,3,4,7,8,9-hexahydropyrido[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
[(7S)-2,7-dimethyl-8,9-dihydro-7H-pyrido[2,3-g]quinolin-6-yl]-phenylmethanone
CID 7053292
[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
[6-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]-phenylmethanone
CID 50742595
(2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)-phenylmethanone
CID 10515904
(2,3-diphenylquinoxalin-6-yl)-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 27307310
(3,4-dichlorophenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 873798
(3,5-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 646590
(5Z)-5-[[4-[(2S)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 9488439
N-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 112773074

Frequently Asked Questions

What is the IUPAC name of [(2S,7S)-1-benzoyl-2,7-dimethyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinolin-6-yl]-phenylmethanone?
The IUPAC name of [(2S,7S)-1-benzoyl-2,7-dimethyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinolin-6-yl]-phenylmethanone (CID 7053300) is [(2S,7S)-1-benzoyl-2,7-dimethyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinolin-6-yl]-phenylmethanone.
What is the SMILES notation for [(2S,7S)-1-benzoyl-2,7-dimethyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinolin-6-yl]-phenylmethanone?
The canonical SMILES for [(2S,7S)-1-benzoyl-2,7-dimethyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinolin-6-yl]-phenylmethanone is C[C@H]1CCc2cc3c(cc2N1C(=O)c1ccccc1)CC[C@H](C)N3C(=O)c1ccccc1.
What is the InChIKey of [(2S,7S)-1-benzoyl-2,7-dimethyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinolin-6-yl]-phenylmethanone?
The InChIKey is VQFBLKMLTRLLEV-PMACEKPBSA-N. The full InChI is InChI=1S/C28H28N2O2/c1-19-13-15-23-18-26-24(17-25(23)29(19)27(31)21-9-5-3-6-10-21)16-14-20(2)30(26)28(32)22-11-7-4-8-12-22/h3-12,17-20H,13-16H2,1-2H3/t19-,20-/m0/s1.
What are the key properties of [(2S,7S)-1-benzoyl-2,7-dimethyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinolin-6-yl]-phenylmethanone?
[(2S,7S)-1-benzoyl-2,7-dimethyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinolin-6-yl]-phenylmethanone has a molecular weight of 424.54 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,7S)-1-benzoyl-2,7-dimethyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinolin-6-yl]-phenylmethanone is sourced from PubChem (CID 7053300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).