3-benzyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one

C22H19N3O3 — CID 134810809

IUPAC3-benzyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2ccc3ncn(Cc4ccccc4)c(=O)c3n2)cc1OC
InChIInChI=1S/C22H19N3O3/c1-27-19-11-8-16(12-20(19)28-2)17-9-10-18-21(24-17)22(26)25(14-23-18)13-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3
InChIKeyGZKBTTUFPSMBDR-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.52
Rot. Bonds5

About 3-benzyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one

3-benzyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134810809) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-benzyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-benzyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134810809
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name3-benzyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2ccc3ncn(Cc4ccccc4)c(=O)c3n2)cc1OC
InChIInChI=1S/C22H19N3O3/c1-27-19-11-8-16(12-20(19)28-2)17-9-10-18-21(24-17)22(26)25(14-23-18)13-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3
InChIKeyGZKBTTUFPSMBDR-UHFFFAOYSA-N
XLogP3.52
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134808634
6-(3-hydroxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810764
2-benzyl-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydrophthalazin-1-one
CID 11003326
3-[(4-phenylphenyl)methyl]pyrido[3,2-d]pyrimidin-4-one
CID 121275650
5,6-dichloro-3-[(3,4-dimethoxyphenyl)methyl]pyrimidin-4-one
CID 114583279
6-(3,4-dimethoxyphenyl)-2-phenylpyridazin-3-one
CID 56850592
carbonic acid;2-(3,4-dimethoxyphenyl)quinoline
CID 70367637
1-benzyl-2-(3,4-dimethoxyphenyl)-4-phenylpyrrole
CID 146163521
3-[(3-bromo-4-methoxyphenyl)methyl]quinazolin-4-one
CID 9138174
ethyl 3-[3-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]benzoate
CID 67059898
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
[1-benzyl-5-(3,4-dimethoxyphenyl)pyrazol-3-yl]methanamine
CID 82072343

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-benzyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one (CID 134810809) is 3-benzyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-benzyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-benzyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one is COc1ccc(-c2ccc3ncn(Cc4ccccc4)c(=O)c3n2)cc1OC.
What is the InChIKey of 3-benzyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is GZKBTTUFPSMBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-27-19-11-8-16(12-20(19)28-2)17-9-10-18-21(24-17)22(26)25(14-23-18)13-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3.
What are the key properties of 3-benzyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
3-benzyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 373.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134810809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).