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

C19H13ClN4O — CID 134808989

IUPAC6-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(-c3ccc(Cl)cc3)ccc2ncn1Cc1ccccn1
InChIInChI=1S/C19H13ClN4O/c20-14-6-4-13(5-7-14)16-8-9-17-18(23-16)19(25)24(12-22-17)11-15-3-1-2-10-21-15/h1-10,12H,11H2
InChIKeyPRUBLHPCLOJOSR-UHFFFAOYSA-N
MW348.79 g/mol
LogP3.56
Rot. Bonds3

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

6-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134808989) has the molecular formula C19H13ClN4O and a molecular weight of 348.79 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134808989
Molecular FormulaC19H13ClN4O
Molecular Weight348.79 g/mol
Exact Mass348.08
IUPAC Name6-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(-c3ccc(Cl)cc3)ccc2ncn1Cc1ccccn1
InChIInChI=1S/C19H13ClN4O/c20-14-6-4-13(5-7-14)16-8-9-17-18(23-16)19(25)24(12-22-17)11-15-3-1-2-10-21-15/h1-10,12H,11H2
InChIKeyPRUBLHPCLOJOSR-UHFFFAOYSA-N
XLogP3.56
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one (CID 134808989) is 6-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one is O=c1c2nc(-c3ccc(Cl)cc3)ccc2ncn1Cc1ccccn1.
What is the InChIKey of 6-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is PRUBLHPCLOJOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O/c20-14-6-4-13(5-7-14)16-8-9-17-18(23-16)19(25)24(12-22-17)11-15-3-1-2-10-21-15/h1-10,12H,11H2.
What are the key properties of 6-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one?
6-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 348.79 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134808989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).