3-benzyl-2-phenylpyrido[4,3-d]pyrimidin-4-one

C20H15N3O — CID 134850585

IUPAC3-benzyl-2-phenylpyrido[4,3-d]pyrimidin-4-one
SMILESO=c1c2cnccc2nc(-c2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C20H15N3O/c24-20-17-13-21-12-11-18(17)22-19(16-9-5-2-6-10-16)23(20)14-15-7-3-1-4-8-15/h1-13H,14H2
InChIKeyKCVYHNOFDNVGRP-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.51
Rot. Bonds3

About 3-benzyl-2-phenylpyrido[4,3-d]pyrimidin-4-one

3-benzyl-2-phenylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 134850585) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-benzyl-2-phenylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-phenylpyrido[4,3-d]pyrimidin-4-one
PubChem CID134850585
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name3-benzyl-2-phenylpyrido[4,3-d]pyrimidin-4-one
SMILESO=c1c2cnccc2nc(-c2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C20H15N3O/c24-20-17-13-21-12-11-18(17)22-19(16-9-5-2-6-10-16)23(20)14-15-7-3-1-4-8-15/h1-13H,14H2
InChIKeyKCVYHNOFDNVGRP-UHFFFAOYSA-N
XLogP3.51
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 17036011
[1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-2-methylpropyl]carbamic acid
CID 22172618
3-benzylpyrido[4,3-d]pyrimidin-4-one
CID 102429043
3-[[3-(aminomethyl)phenyl]methyl]-7-chloro-2-phenylquinazolin-4-one
CID 22484847
3-amino-2-benzyl-1-oxo-2,7-naphthyridine-4-carbonitrile
CID 10564390
3-(2-hydroxyethyl)-2-phenylquinazolin-4-one
CID 854542
3-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-one
CID 71368139
3-benzyl-8-methyl-2-(4-methylphenyl)quinazolin-4-one
CID 175460267
3-ethyl-2-phenylquinazolin-4-one
CID 12626608
3-(4-hydroxybutyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride
CID 135154211
3-benzyl-2-[(E)-2-pyridin-4-ylethenyl]quinazolin-4-one
CID 53245550
[3-[4-oxo-3-[[3-[[4-oxo-2-(3-sulfooxyphenyl)quinazolin-3-yl]methyl]phenyl]methyl]quinazolin-2-yl]phenyl] hydrogen sulfate
CID 171348774

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-phenylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-benzyl-2-phenylpyrido[4,3-d]pyrimidin-4-one (CID 134850585) is 3-benzyl-2-phenylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-benzyl-2-phenylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-benzyl-2-phenylpyrido[4,3-d]pyrimidin-4-one is O=c1c2cnccc2nc(-c2ccccc2)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-phenylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is KCVYHNOFDNVGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c24-20-17-13-21-12-11-18(17)22-19(16-9-5-2-6-10-16)23(20)14-15-7-3-1-4-8-15/h1-13H,14H2.
What are the key properties of 3-benzyl-2-phenylpyrido[4,3-d]pyrimidin-4-one?
3-benzyl-2-phenylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 313.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-phenylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 134850585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).