6-(3-hydroxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one

C16H15N3O3 — CID 134810764

IUPAC6-(3-hydroxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOCCn1cnc2ccc(-c3cccc(O)c3)nc2c1=O
InChIInChI=1S/C16H15N3O3/c1-22-8-7-19-10-17-14-6-5-13(18-15(14)16(19)21)11-3-2-4-12(20)9-11/h2-6,9-10,20H,7-8H2,1H3
InChIKeyQSWLZIGNCQWWKD-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.81
Rot. Bonds4

About 6-(3-hydroxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one

6-(3-hydroxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134810764) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 6-(3-hydroxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(3-hydroxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134810764
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name6-(3-hydroxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOCCn1cnc2ccc(-c3cccc(O)c3)nc2c1=O
InChIInChI=1S/C16H15N3O3/c1-22-8-7-19-10-17-14-6-5-13(18-15(14)16(19)21)11-3-2-4-12(20)9-11/h2-6,9-10,20H,7-8H2,1H3
InChIKeyQSWLZIGNCQWWKD-UHFFFAOYSA-N
XLogP1.81
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-Difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134806260
3-Cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810943
6-(3-Fluoro-4-hydroxyphenyl)-3-phenylpyrido[3,2-d]pyrimidin-4-one
CID 137279418
6-(3-Hydroxyphenyl)-3-phenylpyrido[3,2-d]pyrimidin-4-one
CID 134805586
6-(3-Hydroxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one
CID 134805941
6-(3,4-Dimethoxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one
CID 134808997
3-(2-Methoxyethyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one
CID 134810878
3-Cyclopropyl-6-(3-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810923
3-(2,4-Difluorophenyl)-6-(2,5-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134808976
6-(4-Fluoro-2-methoxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810883
1-Benzyl-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 137279417
3-(2,4-Difluorophenyl)-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 137288924

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(3-hydroxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one (CID 134810764) is 6-(3-hydroxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(3-hydroxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(3-hydroxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one is COCCn1cnc2ccc(-c3cccc(O)c3)nc2c1=O.
What is the InChIKey of 6-(3-hydroxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is QSWLZIGNCQWWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-22-8-7-19-10-17-14-6-5-13(18-15(14)16(19)21)11-3-2-4-12(20)9-11/h2-6,9-10,20H,7-8H2,1H3.
What are the key properties of 6-(3-hydroxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one?
6-(3-hydroxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 297.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134810764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).