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

C21H16FN3O2 — CID 134810844

IUPAC1-benzyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOc1cc(F)ccc1-c1ccc2c(n1)c(=O)ncn2Cc1ccccc1
InChIInChI=1S/C21H16FN3O2/c1-27-19-11-15(22)7-8-16(19)17-9-10-18-20(24-17)21(26)23-13-25(18)12-14-5-3-2-4-6-14/h2-11,13H,12H2,1H3
InChIKeyFGKREMFBDGTTOL-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.65
Rot. Bonds4

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

1-benzyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134810844) has the molecular formula C21H16FN3O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is 1-benzyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-benzyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134810844
Molecular FormulaC21H16FN3O2
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC Name1-benzyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOc1cc(F)ccc1-c1ccc2c(n1)c(=O)ncn2Cc1ccccc1
InChIInChI=1S/C21H16FN3O2/c1-27-19-11-15(22)7-8-16(19)17-9-10-18-20(24-17)21(26)23-13-25(18)12-14-5-3-2-4-6-14/h2-11,13H,12H2,1H3
InChIKeyFGKREMFBDGTTOL-UHFFFAOYSA-N
XLogP3.65
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 1-benzyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one (CID 134810844) is 1-benzyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 1-benzyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 1-benzyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one is COc1cc(F)ccc1-c1ccc2c(n1)c(=O)ncn2Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is FGKREMFBDGTTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2/c1-27-19-11-15(22)7-8-16(19)17-9-10-18-20(24-17)21(26)23-13-25(18)12-14-5-3-2-4-6-14/h2-11,13H,12H2,1H3.
What are the key properties of 1-benzyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
1-benzyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 361.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134810844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).