N-(7,8-dimethylquinolin-5-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide

C20H17N5O3 — CID 166218572

IUPACN-(7,8-dimethylquinolin-5-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1cc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)[nH]c3n2)c2cccnc2c1C
InChIInChI=1S/C20H17N5O3/c1-9-7-13(12-5-4-6-21-16(12)11(9)3)23-18(26)14-8-10(2)15-17(22-14)24-20(28)25-19(15)27/h4-8H,1-3H3,(H,23,26)(H2,22,24,25,27,28)
InChIKeyACURHTGMUWBJQI-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.34
Rot. Bonds2

About N-(7,8-dimethylquinolin-5-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide

N-(7,8-dimethylquinolin-5-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 166218572) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-(7,8-dimethylquinolin-5-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(7,8-dimethylquinolin-5-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID166218572
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC NameN-(7,8-dimethylquinolin-5-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1cc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)[nH]c3n2)c2cccnc2c1C
InChIInChI=1S/C20H17N5O3/c1-9-7-13(12-5-4-6-21-16(12)11(9)3)23-18(26)14-8-10(2)15-17(22-14)24-20(28)25-19(15)27/h4-8H,1-3H3,(H,23,26)(H2,22,24,25,27,28)
InChIKeyACURHTGMUWBJQI-UHFFFAOYSA-N
XLogP2.34
TPSA120.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(7,8-dimethylquinolin-5-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide with MolForge

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Related Compounds

5-methyl-2,4-dioxo-N-[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 166335392
5-methyl-2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 167973003
N-(7,8-dimethylquinolin-5-yl)-2-pyrrolidin-1-ylacetamide
CID 155953753
N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 166189433
N-[2-[(7,8-dimethylquinolin-5-yl)amino]-2-oxoethyl]furan-3-carboxamide
CID 75524289
5,7-dimethyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 5410048
2,4,6-trimethyl-N-(8-methylquinolin-5-yl)benzamide
CID 112812579
5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 154839354
N-(6-methylquinolin-8-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 110742590
N-(8-methylquinolin-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 51085163
5-methyl-7-(2-methyl-4-phenylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 166218917
5-bromo-N-(8-chloroquinolin-5-yl)-4-methylthiophene-2-carboxamide
CID 79988116

Frequently Asked Questions

What is the IUPAC name of N-(7,8-dimethylquinolin-5-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(7,8-dimethylquinolin-5-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide (CID 166218572) is N-(7,8-dimethylquinolin-5-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(7,8-dimethylquinolin-5-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(7,8-dimethylquinolin-5-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide is Cc1cc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)[nH]c3n2)c2cccnc2c1C.
What is the InChIKey of N-(7,8-dimethylquinolin-5-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is ACURHTGMUWBJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-9-7-13(12-5-4-6-21-16(12)11(9)3)23-18(26)14-8-10(2)15-17(22-14)24-20(28)25-19(15)27/h4-8H,1-3H3,(H,23,26)(H2,22,24,25,27,28).
What are the key properties of N-(7,8-dimethylquinolin-5-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
N-(7,8-dimethylquinolin-5-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 2.34, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,8-dimethylquinolin-5-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 166218572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).