2-bromo-N-[(4-chlorophenyl)methyl]-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxamide

C15H10BrClN4O2 — CID 22722030

IUPAC2-bromo-N-[(4-chlorophenyl)methyl]-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1c[nH]c2cnc(Br)nc2c1=O
InChIInChI=1S/C15H10BrClN4O2/c16-15-20-7-11-12(21-15)13(22)10(6-18-11)14(23)19-5-8-1-3-9(17)4-2-8/h1-4,6-7H,5H2,(H,18,22)(H,19,23)
InChIKeyXGVYSRAWUQNZOK-UHFFFAOYSA-N
MW393.63 g/mol
LogP2.66
Rot. Bonds3

About 2-bromo-N-[(4-chlorophenyl)methyl]-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxamide

2-bromo-N-[(4-chlorophenyl)methyl]-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxamide (PubChem CID 22722030) has the molecular formula C15H10BrClN4O2 and a molecular weight of 393.63 g/mol. Its IUPAC name is 2-bromo-N-[(4-chlorophenyl)methyl]-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(4-chlorophenyl)methyl]-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxamide
PubChem CID22722030
Molecular FormulaC15H10BrClN4O2
Molecular Weight393.63 g/mol
Exact Mass391.97
IUPAC Name2-bromo-N-[(4-chlorophenyl)methyl]-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1c[nH]c2cnc(Br)nc2c1=O
InChIInChI=1S/C15H10BrClN4O2/c16-15-20-7-11-12(21-15)13(22)10(6-18-11)14(23)19-5-8-1-3-9(17)4-2-8/h1-4,6-7H,5H2,(H,18,22)(H,19,23)
InChIKeyXGVYSRAWUQNZOK-UHFFFAOYSA-N
XLogP2.66
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.63
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-8-oxo-5H-pyrido[3,2-d]pyrimidin-7-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 139979668
6-bromo-N-[(4-chlorophenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide
CID 20583233
N-[(4-chlorophenyl)methyl]-6-(2-hydroxyethoxy)-4-oxo-1H-quinoline-3-carboxamide
CID 18698657
8-chloro-N-[(4-chlorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 10427772
7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
CID 39042088
N,6-dibenzyl-4-oxo-1H-1,5-naphthyridine-3-carboxamide
CID 10109646
7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 18473034
N-[(4-ethoxyphenyl)methyl]-4-oxo-6-pyrrolidin-1-yl-1H-1,5-naphthyridine-3-carboxamide
CID 10271820
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-ethoxy-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydrochloride
CID 10112640
N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206537
5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205803
N-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 53007174

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-chlorophenyl)methyl]-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 2-bromo-N-[(4-chlorophenyl)methyl]-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxamide (CID 22722030) is 2-bromo-N-[(4-chlorophenyl)methyl]-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-bromo-N-[(4-chlorophenyl)methyl]-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 2-bromo-N-[(4-chlorophenyl)methyl]-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxamide is O=C(NCc1ccc(Cl)cc1)c1c[nH]c2cnc(Br)nc2c1=O.
What is the InChIKey of 2-bromo-N-[(4-chlorophenyl)methyl]-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is XGVYSRAWUQNZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN4O2/c16-15-20-7-11-12(21-15)13(22)10(6-18-11)14(23)19-5-8-1-3-9(17)4-2-8/h1-4,6-7H,5H2,(H,18,22)(H,19,23).
What are the key properties of 2-bromo-N-[(4-chlorophenyl)methyl]-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxamide?
2-bromo-N-[(4-chlorophenyl)methyl]-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 393.63 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-chlorophenyl)methyl]-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 22722030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).