2-chloro-7-methoxy-5-methylpyrido[3,2-d]pyrimidin-6-one

C9H8ClN3O2 — CID 87614731

IUPAC2-chloro-7-methoxy-5-methylpyrido[3,2-d]pyrimidin-6-one
SMILESCOc1cc2nc(Cl)ncc2n(C)c1=O
InChIInChI=1S/C9H8ClN3O2/c1-13-6-4-11-9(10)12-5(6)3-7(15-2)8(13)14/h3-4H,1-2H3
InChIKeyZQIGZNLUCCNLEG-UHFFFAOYSA-N
MW225.64 g/mol
LogP0.99
Rot. Bonds1

About 2-chloro-7-methoxy-5-methylpyrido[3,2-d]pyrimidin-6-one

2-chloro-7-methoxy-5-methylpyrido[3,2-d]pyrimidin-6-one (PubChem CID 87614731) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is 2-chloro-7-methoxy-5-methylpyrido[3,2-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-chloro-7-methoxy-5-methylpyrido[3,2-d]pyrimidin-6-one
PubChem CID87614731
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Name2-chloro-7-methoxy-5-methylpyrido[3,2-d]pyrimidin-6-one
SMILESCOc1cc2nc(Cl)ncc2n(C)c1=O
InChIInChI=1S/C9H8ClN3O2/c1-13-6-4-11-9(10)12-5(6)3-7(15-2)8(13)14/h3-4H,1-2H3
InChIKeyZQIGZNLUCCNLEG-UHFFFAOYSA-N
XLogP0.99
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-ethoxy-7-methoxyquinazoline
CID 141299474
5-chloro-1-methylpyrazolo[4,3-d]pyrimidine
CID 71743115
2-chloro-6-methoxy-7-[2-(triazol-1-yl)ethoxy]quinazoline
CID 141020611
methyl 3-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)propanoate
CID 14718200
7-chloro-3-(3,5-dimethoxy-2,6-dimethylphenyl)-1-methyl-1,6-naphthyridin-2-one
CID 139396179
2-(2-chloro-5-methoxypyrimidin-4-yl)-1-methylbenzimidazole
CID 175715308
5,6-dimethoxy-1,2-dimethylbenzimidazole
CID 67341482
2-chloro-7-methyl-9H-purin-8-one
CID 88548661
2-chloro-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine
CID 139385412
6,7-Dimethoxy-4-methyl-3-oxo-3,4-dihydroquinoxaline-2-carboxylic acid--triaza-1,2-dien-2-ium-1-ide (1/1)
CID 53439503
2-(7-chloro-6-methoxy-1-methyl-2-oxoquinolin-3-yl)acetic acid
CID 84642929
2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one
CID 139320300

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methoxy-5-methylpyrido[3,2-d]pyrimidin-6-one?
The IUPAC name of 2-chloro-7-methoxy-5-methylpyrido[3,2-d]pyrimidin-6-one (CID 87614731) is 2-chloro-7-methoxy-5-methylpyrido[3,2-d]pyrimidin-6-one.
What is the SMILES notation for 2-chloro-7-methoxy-5-methylpyrido[3,2-d]pyrimidin-6-one?
The canonical SMILES for 2-chloro-7-methoxy-5-methylpyrido[3,2-d]pyrimidin-6-one is COc1cc2nc(Cl)ncc2n(C)c1=O.
What is the InChIKey of 2-chloro-7-methoxy-5-methylpyrido[3,2-d]pyrimidin-6-one?
The InChIKey is ZQIGZNLUCCNLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c1-13-6-4-11-9(10)12-5(6)3-7(15-2)8(13)14/h3-4H,1-2H3.
What are the key properties of 2-chloro-7-methoxy-5-methylpyrido[3,2-d]pyrimidin-6-one?
2-chloro-7-methoxy-5-methylpyrido[3,2-d]pyrimidin-6-one has a molecular weight of 225.64 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methoxy-5-methylpyrido[3,2-d]pyrimidin-6-one is sourced from PubChem (CID 87614731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).