8,8-dimethyl-11-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-6-(4-methylphenyl)-9,11-dihydro-7H-quinolino[2,3-b]quinolin-10-one

C29H28N4O2 — CID 132500191

IUPAC8,8-dimethyl-11-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-6-(4-methylphenyl)-9,11-dihydro-7H-quinolino[2,3-b]quinolin-10-one
SMILESCc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3c(C)[nH][nH]c3=O)c3cc4ccccc4nc32)cc1
InChIInChI=1S/C29H28N4O2/c1-16-9-11-19(12-10-16)33-22-14-29(3,4)15-23(34)26(22)25(24-17(2)31-32-28(24)35)20-13-18-7-5-6-8-21(18)30-27(20)33/h5-13,25H,14-15H2,1-4H3,(H2,31,32,35)
InChIKeyOJLJSVXGUHBCCN-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.79
Rot. Bonds2

About 8,8-dimethyl-11-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-6-(4-methylphenyl)-9,11-dihydro-7H-quinolino[2,3-b]quinolin-10-one

8,8-dimethyl-11-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-6-(4-methylphenyl)-9,11-dihydro-7H-quinolino[2,3-b]quinolin-10-one (PubChem CID 132500191) has the molecular formula C29H28N4O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is 8,8-dimethyl-11-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-6-(4-methylphenyl)-9,11-dihydro-7H-quinolino[2,3-b]quinolin-10-one.

Molecular Properties

Compound Name8,8-dimethyl-11-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-6-(4-methylphenyl)-9,11-dihydro-7H-quinolino[2,3-b]quinolin-10-one
PubChem CID132500191
Molecular FormulaC29H28N4O2
Molecular Weight464.57 g/mol
Exact Mass464.22
IUPAC Name8,8-dimethyl-11-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-6-(4-methylphenyl)-9,11-dihydro-7H-quinolino[2,3-b]quinolin-10-one
SMILESCc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3c(C)[nH][nH]c3=O)c3cc4ccccc4nc32)cc1
InChIInChI=1S/C29H28N4O2/c1-16-9-11-19(12-10-16)33-22-14-29(3,4)15-23(34)26(22)25(24-17(2)31-32-28(24)35)20-13-18-7-5-6-8-21(18)30-27(20)33/h5-13,25H,14-15H2,1-4H3,(H2,31,32,35)
InChIKeyOJLJSVXGUHBCCN-UHFFFAOYSA-N
XLogP5.79
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8,8-dimethyl-11-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-6-(4-methylphenyl)-9,11-dihydro-7H-quinolino[2,3-b]quinolin-10-one with MolForge

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Related Compounds

10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 22333794
10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 71493179
9-(2-methoxyphenyl)-10-(4-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 1362259
ethyl 2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carboxylate
CID 172871608
(1R,6R,13S)-4,17,17-trimethyl-20-(4-methylphenyl)-5-oxa-20-azapentacyclo[11.8.0.01,6.07,12.014,19]henicosa-3,7,9,11,14(19)-pentaene-2,15,21-trione
CID 102598089
2-amino-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 2969258
2-amino-4-(2-chloro-6-fluorophenyl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 2969393
(4S)-3-[hydroxy(phenyl)methylidene]-2-imino-7,7-dimethyl-4-(4-methylphenyl)-1-phenyl-6,8-dihydro-4H-quinolin-5-one
CID 136868573
ethyl 2-amino-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carboxylate
CID 172871569
10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-9-thiophen-2-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 6621033
(4S)-2-amino-4-(4-bromothiophen-2-yl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 1248258
7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 4540355

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-11-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-6-(4-methylphenyl)-9,11-dihydro-7H-quinolino[2,3-b]quinolin-10-one?
The IUPAC name of 8,8-dimethyl-11-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-6-(4-methylphenyl)-9,11-dihydro-7H-quinolino[2,3-b]quinolin-10-one (CID 132500191) is 8,8-dimethyl-11-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-6-(4-methylphenyl)-9,11-dihydro-7H-quinolino[2,3-b]quinolin-10-one.
What is the SMILES notation for 8,8-dimethyl-11-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-6-(4-methylphenyl)-9,11-dihydro-7H-quinolino[2,3-b]quinolin-10-one?
The canonical SMILES for 8,8-dimethyl-11-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-6-(4-methylphenyl)-9,11-dihydro-7H-quinolino[2,3-b]quinolin-10-one is Cc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3c(C)[nH][nH]c3=O)c3cc4ccccc4nc32)cc1.
What is the InChIKey of 8,8-dimethyl-11-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-6-(4-methylphenyl)-9,11-dihydro-7H-quinolino[2,3-b]quinolin-10-one?
The InChIKey is OJLJSVXGUHBCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O2/c1-16-9-11-19(12-10-16)33-22-14-29(3,4)15-23(34)26(22)25(24-17(2)31-32-28(24)35)20-13-18-7-5-6-8-21(18)30-27(20)33/h5-13,25H,14-15H2,1-4H3,(H2,31,32,35).
What are the key properties of 8,8-dimethyl-11-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-6-(4-methylphenyl)-9,11-dihydro-7H-quinolino[2,3-b]quinolin-10-one?
8,8-dimethyl-11-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-6-(4-methylphenyl)-9,11-dihydro-7H-quinolino[2,3-b]quinolin-10-one has a molecular weight of 464.57 g/mol, XLogP of 5.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-11-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-6-(4-methylphenyl)-9,11-dihydro-7H-quinolino[2,3-b]quinolin-10-one is sourced from PubChem (CID 132500191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).