1-benzyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one

C20H14FN3O — CID 134810897

IUPAC1-benzyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1ncn(Cc2ccccc2)c2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C20H14FN3O/c21-16-8-6-15(7-9-16)17-10-11-18-19(23-17)20(25)22-13-24(18)12-14-4-2-1-3-5-14/h1-11,13H,12H2
InChIKeyGTCUHMIHZKXRDK-UHFFFAOYSA-N
MW331.35 g/mol
LogP3.65
Rot. Bonds3

About 1-benzyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one

1-benzyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134810897) has the molecular formula C20H14FN3O and a molecular weight of 331.35 g/mol. Its IUPAC name is 1-benzyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-benzyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134810897
Molecular FormulaC20H14FN3O
Molecular Weight331.35 g/mol
Exact Mass331.11
IUPAC Name1-benzyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1ncn(Cc2ccccc2)c2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C20H14FN3O/c21-16-8-6-15(7-9-16)17-10-11-18-19(23-17)20(25)22-13-24(18)12-14-4-2-1-3-5-14/h1-11,13H,12H2
InChIKeyGTCUHMIHZKXRDK-UHFFFAOYSA-N
XLogP3.65
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
CID 5742213
3-(2-fluorophenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
CID 18362967
6-fluoro-3-(2-fluorophenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
CID 18363013
4(3H)-Quinazolinone, 3-phenyl-2-(2-pyridyl)-
CID 63142
4(3H)-Quinazolinone, 3-(2-methylphenyl)-2-(2-oxo-2-(2-pyridinyl)ethyl)-
CID 64068
2-(4-Methylphenyl)-3-pyridin-3-ylquinazolin-4-one
CID 743603
2-Phenyl-3-pyridin-3-yl-3H-quinazolin-4-one
CID 921163
6-fluoro-3-(2-methylphenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
CID 44295970
2-[(E)-2-pyridin-2-ylethenyl]-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one
CID 44296031
6-(3-Chloro-4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810852
3-Amino-6-(3,6-dihydro-2H-pyran-4-yl)pyridine-2-carboxamide
CID 127040262
3-(2,6-difluorophenyl)-6-fluoro-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
CID 44296261

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 1-benzyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one (CID 134810897) is 1-benzyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 1-benzyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 1-benzyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one is O=c1ncn(Cc2ccccc2)c2ccc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 1-benzyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is GTCUHMIHZKXRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O/c21-16-8-6-15(7-9-16)17-10-11-18-19(23-17)20(25)22-13-24(18)12-14-4-2-1-3-5-14/h1-11,13H,12H2.
What are the key properties of 1-benzyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one?
1-benzyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 331.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134810897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).