2,9-dimethyl-5-(4-methylphenyl)-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]quinolin-4-one

C20H21N3O — CID 135968231

IUPAC2,9-dimethyl-5-(4-methylphenyl)-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]quinolin-4-one
SMILESCc1ccc(-c2c3c(nc4nc(C)[nH]c(=O)c24)C(C)CCC3)cc1
InChIInChI=1S/C20H21N3O/c1-11-7-9-14(10-8-11)16-15-6-4-5-12(2)18(15)23-19-17(16)20(24)22-13(3)21-19/h7-10,12H,4-6H2,1-3H3,(H,21,22,23,24)
InChIKeyGKKHHNWMJGRVFW-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.04
Rot. Bonds1

About 2,9-dimethyl-5-(4-methylphenyl)-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]quinolin-4-one

2,9-dimethyl-5-(4-methylphenyl)-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]quinolin-4-one (PubChem CID 135968231) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2,9-dimethyl-5-(4-methylphenyl)-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]quinolin-4-one.

Molecular Properties

Compound Name2,9-dimethyl-5-(4-methylphenyl)-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]quinolin-4-one
PubChem CID135968231
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2,9-dimethyl-5-(4-methylphenyl)-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]quinolin-4-one
SMILESCc1ccc(-c2c3c(nc4nc(C)[nH]c(=O)c24)C(C)CCC3)cc1
InChIInChI=1S/C20H21N3O/c1-11-7-9-14(10-8-11)16-15-6-4-5-12(2)18(15)23-19-17(16)20(24)22-13(3)21-19/h7-10,12H,4-6H2,1-3H3,(H,21,22,23,24)
InChIKeyGKKHHNWMJGRVFW-UHFFFAOYSA-N
XLogP4.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,9-dimethyl-5-(4-methylphenyl)-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]quinolin-4-one with MolForge

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Related Compounds

2-(4-Ethyl-phenylamino)-4,6-dimethyl-nicotinamide
CID 712047
N-(4,6-dimethylpyridin-2-yl)-2-phenylbutanamide
CID 2852109
4-methyl-N-quinolin-2-ylbenzamide
CID 2812455
2-(4-Methylphenyl)-3-(6-methylpyridin-2-yl)quinazolin-4-one
CID 829438
2-Methylsulfanyl-3-o-tolyl-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]quinolin-4-one
CID 929434
1,3-dimethyl-8-phenyl-8,9-dihydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
CID 4891701
2-Butylamino-6-phenyl-4-trifluoromethyl-nicotinamide
CID 1904911
2-[(Anilinocarbonyl)amino]-4,6-dimethylnicotinamide
CID 4362481
5,7-Dimethyl-2-naphthalen-1-yl-1H-[1,8]naphthyridin-4-one
CID 5468781
(S)-9-fluoro-6-(3-methylbutan-2-ylamino)benzo[c][1,6]naphthyridin-1(2H)-one
CID 25096020
7-(2-Chlorophenyl)-6-(4-chlorophenyl)-2-isopropylpyrido[2,3-d]pyrimidin-4-ol
CID 135923581
3-phenyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one
CID 5418960

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-5-(4-methylphenyl)-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]quinolin-4-one?
The IUPAC name of 2,9-dimethyl-5-(4-methylphenyl)-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]quinolin-4-one (CID 135968231) is 2,9-dimethyl-5-(4-methylphenyl)-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]quinolin-4-one.
What is the SMILES notation for 2,9-dimethyl-5-(4-methylphenyl)-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]quinolin-4-one?
The canonical SMILES for 2,9-dimethyl-5-(4-methylphenyl)-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]quinolin-4-one is Cc1ccc(-c2c3c(nc4nc(C)[nH]c(=O)c24)C(C)CCC3)cc1.
What is the InChIKey of 2,9-dimethyl-5-(4-methylphenyl)-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]quinolin-4-one?
The InChIKey is GKKHHNWMJGRVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-11-7-9-14(10-8-11)16-15-6-4-5-12(2)18(15)23-19-17(16)20(24)22-13(3)21-19/h7-10,12H,4-6H2,1-3H3,(H,21,22,23,24).
What are the key properties of 2,9-dimethyl-5-(4-methylphenyl)-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]quinolin-4-one?
2,9-dimethyl-5-(4-methylphenyl)-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]quinolin-4-one has a molecular weight of 319.41 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-5-(4-methylphenyl)-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]quinolin-4-one is sourced from PubChem (CID 135968231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).