(7S)-10,10-dimethyl-7-phenyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one

C25H23NO — CID 40523336

IUPAC(7S)-10,10-dimethyl-7-phenyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)[C@@H]2c1ccccc1
InChIInChI=1S/C25H23NO/c1-25(2)14-20-23(21(27)15-25)22(17-9-4-3-5-10-17)19-13-12-16-8-6-7-11-18(16)24(19)26-20/h3-13,22,26H,14-15H2,1-2H3/t22-/m0/s1
InChIKeyRODMECCMEPWLPM-QFIPXVFZSA-N
MW353.47 g/mol
LogP6.04
Rot. Bonds1

About (7S)-10,10-dimethyl-7-phenyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one

(7S)-10,10-dimethyl-7-phenyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one (PubChem CID 40523336) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is (7S)-10,10-dimethyl-7-phenyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one.

Molecular Properties

Compound Name(7S)-10,10-dimethyl-7-phenyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
PubChem CID40523336
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC Name(7S)-10,10-dimethyl-7-phenyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)[C@@H]2c1ccccc1
InChIInChI=1S/C25H23NO/c1-25(2)14-20-23(21(27)15-25)22(17-9-4-3-5-10-17)19-13-12-16-8-6-7-11-18(16)24(19)26-20/h3-13,22,26H,14-15H2,1-2H3/t22-/m0/s1
InChIKeyRODMECCMEPWLPM-QFIPXVFZSA-N
XLogP6.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (7S)-10,10-dimethyl-7-phenyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one 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

7-(4-aminophenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
CID 14171492
7-(4-methoxyphenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
CID 4261678
7-(2-hydroxyphenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
CID 42597035
(7R)-7-(6-bromo-1,3-benzodioxol-5-yl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
CID 7231058
(12R)-9,9-dimethyl-12-naphthalen-1-yl-7,8,10,12-tetrahydrobenzo[a]acridin-11-one
CID 7231056
9,9-dimethyl-12-(4-methylphenyl)-7,8,10,12-tetrahydrobenzo[a]acridin-11-one;ethane
CID 169270874
7-(4-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one
CID 42642087
12-[4-(hydroxymethyl)phenyl]-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[a]acridin-11-one
CID 177269525
7,7-dimethyl-10-naphthalen-1-yl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CID 2933264
(4R)-7,7-dimethyl-4-naphthalen-1-yl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 7413488
(11S)-8,8-dimethyl-11-phenyl-2,3,6,7,9,11-hexahydro-[1,4]benzodioxino[6,7-b]quinolin-10-one
CID 7363321
7-(4-chlorophenyl)-10,10-dimethyl-9,11-dihydro-7H-naphtho[1,2-b]chromen-8-one
CID 46210278

Frequently Asked Questions

What is the IUPAC name of (7S)-10,10-dimethyl-7-phenyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one?
The IUPAC name of (7S)-10,10-dimethyl-7-phenyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one (CID 40523336) is (7S)-10,10-dimethyl-7-phenyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one.
What is the SMILES notation for (7S)-10,10-dimethyl-7-phenyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one?
The canonical SMILES for (7S)-10,10-dimethyl-7-phenyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one is CC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)[C@@H]2c1ccccc1.
What is the InChIKey of (7S)-10,10-dimethyl-7-phenyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one?
The InChIKey is RODMECCMEPWLPM-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H23NO/c1-25(2)14-20-23(21(27)15-25)22(17-9-4-3-5-10-17)19-13-12-16-8-6-7-11-18(16)24(19)26-20/h3-13,22,26H,14-15H2,1-2H3/t22-/m0/s1.
What are the key properties of (7S)-10,10-dimethyl-7-phenyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one?
(7S)-10,10-dimethyl-7-phenyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one has a molecular weight of 353.47 g/mol, XLogP of 6.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-10,10-dimethyl-7-phenyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one is sourced from PubChem (CID 40523336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).