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

C18H17N3O3 — CID 134808634

IUPAC3-cyclopropyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2ccc3ncn(C4CC4)c(=O)c3n2)cc1OC
InChIInChI=1S/C18H17N3O3/c1-23-15-8-3-11(9-16(15)24-2)13-6-7-14-17(20-13)18(22)21(10-19-14)12-4-5-12/h3,6-10,12H,4-5H2,1-2H3
InChIKeyMZQHYIYMJHZMHG-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.81
Rot. Bonds4

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

3-cyclopropyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134808634) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-cyclopropyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134808634
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-cyclopropyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2ccc3ncn(C4CC4)c(=O)c3n2)cc1OC
InChIInChI=1S/C18H17N3O3/c1-23-15-8-3-11(9-16(15)24-2)13-6-7-14-17(20-13)18(22)21(10-19-14)12-4-5-12/h3,6-10,12H,4-5H2,1-2H3
InChIKeyMZQHYIYMJHZMHG-UHFFFAOYSA-N
XLogP2.81
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-6-(4-phenylphenoxy)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 57391293
2-(3,4-dimethoxyphenyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide
CID 135843369
methyl N-[(2S)-1-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]carbamate
CID 66891764
7-(3,4-Dimethoxyphenyl)-3-methyl-5-[(6-oxopiperidin-3-yl)amino]pyrido[4,3-d]pyrimidin-4-one
CID 66958745
methyl N-[2-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]carbamate
CID 66959591
3-(2,4-Difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134806260
3-(2,4-Difluorophenyl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134808633
1-Benzyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810844
6-(3-Fluoro-4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810871
3-Cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810943
6-(3,4-Dimethoxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one
CID 134808997
3-Cyclopropyl-6-(3-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810923

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-cyclopropyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one (CID 134808634) is 3-cyclopropyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-cyclopropyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-cyclopropyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one is COc1ccc(-c2ccc3ncn(C4CC4)c(=O)c3n2)cc1OC.
What is the InChIKey of 3-cyclopropyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is MZQHYIYMJHZMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-23-15-8-3-11(9-16(15)24-2)13-6-7-14-17(20-13)18(22)21(10-19-14)12-4-5-12/h3,6-10,12H,4-5H2,1-2H3.
What are the key properties of 3-cyclopropyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
3-cyclopropyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 323.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134808634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).