6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methyl-7H-pyrido[3,4-d]pyrimidin-8-one

C16H13Cl2N3O3 — CID 142380997

IUPAC6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methyl-7H-pyrido[3,4-d]pyrimidin-8-one
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(C)nc3c(=O)[nH]2)c1Cl
InChIInChI=1S/C16H13Cl2N3O3/c1-7-19-6-8-4-9(21-16(22)15(8)20-7)12-13(17)10(23-2)5-11(24-3)14(12)18/h4-6H,1-3H3,(H,21,22)
InChIKeyAVMIUZJMBAXOJS-UHFFFAOYSA-N
MW366.20 g/mol
LogP3.62
Rot. Bonds3

About 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methyl-7H-pyrido[3,4-d]pyrimidin-8-one

6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methyl-7H-pyrido[3,4-d]pyrimidin-8-one (PubChem CID 142380997) has the molecular formula C16H13Cl2N3O3 and a molecular weight of 366.20 g/mol. Its IUPAC name is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methyl-7H-pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methyl-7H-pyrido[3,4-d]pyrimidin-8-one
PubChem CID142380997
Molecular FormulaC16H13Cl2N3O3
Molecular Weight366.20 g/mol
Exact Mass365.03
IUPAC Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methyl-7H-pyrido[3,4-d]pyrimidin-8-one
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(C)nc3c(=O)[nH]2)c1Cl
InChIInChI=1S/C16H13Cl2N3O3/c1-7-19-6-8-4-9(21-16(22)15(8)20-7)12-13(17)10(23-2)5-11(24-3)14(12)18/h4-6H,1-3H3,(H,21,22)
InChIKeyAVMIUZJMBAXOJS-UHFFFAOYSA-N
XLogP3.62
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methyl-7H-pyrido[3,4-d]pyrimidin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylquinazoline
CID 118048952
8-chloro-6-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methylpyrido[3,4-d]pyrimidine;ethane
CID 142381459
N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-oxo-6H-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide
CID 135180050
8-methoxy-2,6-dimethylquinazoline
CID 143712441
6-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-2-methylquinazoline
CID 142295606
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[3,4-d]pyrimidin-2-amine
CID 167095664
7-(2,6-dichloro-3,5-dimethoxyphenyl)-9-ethyl-2-methyl-1H-imidazo[4,5-h][1,6]naphthyridin-8-one
CID 24898632
6-(2-chloro-3,5-dimethoxy-6-methylphenyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135180154
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
CID 135179837
3-chloro-7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine
CID 135181041
7-chloro-3-(3,5-dimethoxyphenyl)-2H-2,6-naphthyridin-1-one;ethane
CID 142381159
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1,7-dimethyl-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 166655203

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methyl-7H-pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methyl-7H-pyrido[3,4-d]pyrimidin-8-one (CID 142380997) is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methyl-7H-pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methyl-7H-pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methyl-7H-pyrido[3,4-d]pyrimidin-8-one is COc1cc(OC)c(Cl)c(-c2cc3cnc(C)nc3c(=O)[nH]2)c1Cl.
What is the InChIKey of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methyl-7H-pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is AVMIUZJMBAXOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O3/c1-7-19-6-8-4-9(21-16(22)15(8)20-7)12-13(17)10(23-2)5-11(24-3)14(12)18/h4-6H,1-3H3,(H,21,22).
What are the key properties of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methyl-7H-pyrido[3,4-d]pyrimidin-8-one?
6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methyl-7H-pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 366.20 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methyl-7H-pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 142380997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).