3-benzylpyrido[4,3-d]pyrimidin-4-one

C14H11N3O — CID 102429043

IUPAC3-benzylpyrido[4,3-d]pyrimidin-4-one
SMILESO=c1c2cnccc2ncn1Cc1ccccc1
InChIInChI=1S/C14H11N3O/c18-14-12-8-15-7-6-13(12)16-10-17(14)9-11-4-2-1-3-5-11/h1-8,10H,9H2
InChIKeyZNUSGBIKLLXVMX-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.84
Rot. Bonds2

About 3-benzylpyrido[4,3-d]pyrimidin-4-one

3-benzylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 102429043) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-benzylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-benzylpyrido[4,3-d]pyrimidin-4-one
PubChem CID102429043
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name3-benzylpyrido[4,3-d]pyrimidin-4-one
SMILESO=c1c2cnccc2ncn1Cc1ccccc1
InChIInChI=1S/C14H11N3O/c18-14-12-8-15-7-6-13(12)16-10-17(14)9-11-4-2-1-3-5-11/h1-8,10H,9H2
InChIKeyZNUSGBIKLLXVMX-UHFFFAOYSA-N
XLogP1.84
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrido[4,3-d]pyrimidin-4-one
CID 131947016
3-(2-methoxyethyl)pyrido[4,3-d]pyrimidin-4-one
CID 39817833
3-benzyl-7-bromoquinazolin-4-one
CID 23158166
3-benzyl-7-fluoroquinazolin-4-one
CID 17474862
3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
3-benzyl-2-phenylpyrido[4,3-d]pyrimidin-4-one
CID 134850585
3-[(3-phenylphenyl)methyl]quinazolin-4-one
CID 121275766
3-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-one
CID 91650448
3-benzyl-6-(1H-pyrazol-5-yl)quinazolin-4-one
CID 155594064
3-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one
CID 121275735
N-(3-benzyl-4-oxoquinazolin-6-yl)-2-hydroxyacetamide
CID 25155077
3-[[4-(1-cyclopentylpiperidin-2-yl)oxyphenyl]methyl]pyrido[4,3-d]pyrimidin-4-one
CID 172689690

Frequently Asked Questions

What is the IUPAC name of 3-benzylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-benzylpyrido[4,3-d]pyrimidin-4-one (CID 102429043) is 3-benzylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-benzylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-benzylpyrido[4,3-d]pyrimidin-4-one is O=c1c2cnccc2ncn1Cc1ccccc1.
What is the InChIKey of 3-benzylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is ZNUSGBIKLLXVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c18-14-12-8-15-7-6-13(12)16-10-17(14)9-11-4-2-1-3-5-11/h1-8,10H,9H2.
What are the key properties of 3-benzylpyrido[4,3-d]pyrimidin-4-one?
3-benzylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 237.26 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 102429043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).