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

C19H14N4O2 — CID 134810944

IUPAC6-(3-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(-c3cccc(O)c3)ccc2ncn1Cc1ccccn1
InChIInChI=1S/C19H14N4O2/c24-15-6-3-4-13(10-15)16-7-8-17-18(22-16)19(25)23(12-21-17)11-14-5-1-2-9-20-14/h1-10,12,24H,11H2
InChIKeyZTGOQJKZMHSOBF-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.61
Rot. Bonds3

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

6-(3-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134810944) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 6-(3-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(3-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134810944
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name6-(3-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(-c3cccc(O)c3)ccc2ncn1Cc1ccccn1
InChIInChI=1S/C19H14N4O2/c24-15-6-3-4-13(10-15)16-7-8-17-18(22-16)19(25)23(12-21-17)11-14-5-1-2-9-20-14/h1-10,12,24H,11H2
InChIKeyZTGOQJKZMHSOBF-UHFFFAOYSA-N
XLogP2.61
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 46179299
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CID 59226493
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2-Ethyl-13-[2-(4-hydroxyphenyl)ethyl]-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(3-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one (CID 134810944) is 6-(3-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(3-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(3-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one is O=c1c2nc(-c3cccc(O)c3)ccc2ncn1Cc1ccccn1.
What is the InChIKey of 6-(3-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is ZTGOQJKZMHSOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c24-15-6-3-4-13(10-15)16-7-8-17-18(22-16)19(25)23(12-21-17)11-14-5-1-2-9-20-14/h1-10,12,24H,11H2.
What are the key properties of 6-(3-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one?
6-(3-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 330.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134810944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).