1,3-dimethyl-2,4-dioxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide

C21H21N5O4 — CID 95157748

IUPAC1,3-dimethyl-2,4-dioxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H21N5O4/c1-11(12-4-7-15-13(10-12)5-9-17(27)23-15)22-19(28)16-8-6-14-18(24-16)25(2)21(30)26(3)20(14)29/h4,6-8,10-11H,5,9H2,1-3H3,(H,22,28)(H,23,27)/t11-/m1/s1
InChIKeySPIHPGJQJAEQJF-LLVKDONJSA-N
MW407.43 g/mol
LogP1.01
Rot. Bonds3

About 1,3-dimethyl-2,4-dioxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide

1,3-dimethyl-2,4-dioxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 95157748) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID95157748
Molecular FormulaC21H21N5O4
Molecular Weight407.43 g/mol
Exact Mass407.16
IUPAC Name1,3-dimethyl-2,4-dioxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H21N5O4/c1-11(12-4-7-15-13(10-12)5-9-17(27)23-15)22-19(28)16-8-6-14-18(24-16)25(2)21(30)26(3)20(14)29/h4,6-8,10-11H,5,9H2,1-3H3,(H,22,28)(H,23,27)/t11-/m1/s1
InChIKeySPIHPGJQJAEQJF-LLVKDONJSA-N
XLogP1.01
TPSA115.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-2,4-dioxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide with MolForge

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Related Compounds

1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]indole-4-carboxamide
CID 56823797
1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51120389
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide
CID 166179612
1-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropane-1-carboxamide
CID 119729776
1-(4-chlorophenyl)-5-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1,2,4-triazole-3-carboxamide
CID 78890854
6-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-propoxypyridine-3-carboxamide
CID 124743707
(Z)-2-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pent-2-enamide
CID 94827781
N-tert-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 37132946
2-(2-methoxyethylamino)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide;hydrochloride
CID 119729824
3,6-dimethyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51118084
3,4-diethoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]benzamide
CID 60516922
5-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 51118082

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide (CID 95157748) is 1,3-dimethyl-2,4-dioxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide is C[C@@H](NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is SPIHPGJQJAEQJF-LLVKDONJSA-N. The full InChI is InChI=1S/C21H21N5O4/c1-11(12-4-7-15-13(10-12)5-9-17(27)23-15)22-19(28)16-8-6-14-18(24-16)25(2)21(30)26(3)20(14)29/h4,6-8,10-11H,5,9H2,1-3H3,(H,22,28)(H,23,27)/t11-/m1/s1.
What are the key properties of 1,3-dimethyl-2,4-dioxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide?
1,3-dimethyl-2,4-dioxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 95157748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).