3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one

C20H13F2N3O2 — CID 134806260

IUPAC3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOc1cccc(-c2ccc3ncn(-c4ccc(F)cc4F)c(=O)c3n2)c1
InChIInChI=1S/C20H13F2N3O2/c1-27-14-4-2-3-12(9-14)16-6-7-17-19(24-16)20(26)25(11-23-17)18-8-5-13(21)10-15(18)22/h2-11H,1H3
InChIKeyGPFHSTCIUDBPPS-UHFFFAOYSA-N
MW365.34 g/mol
LogP3.73
Rot. Bonds3

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

3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134806260) has the molecular formula C20H13F2N3O2 and a molecular weight of 365.34 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134806260
Molecular FormulaC20H13F2N3O2
Molecular Weight365.34 g/mol
Exact Mass365.10
IUPAC Name3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOc1cccc(-c2ccc3ncn(-c4ccc(F)cc4F)c(=O)c3n2)c1
InChIInChI=1S/C20H13F2N3O2/c1-27-14-4-2-3-12(9-14)16-6-7-17-19(24-16)20(26)25(11-23-17)18-8-5-13(21)10-15(18)22/h2-11H,1H3
InChIKeyGPFHSTCIUDBPPS-UHFFFAOYSA-N
XLogP3.73
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-(4-phenylphenoxy)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 57391293
3-[(4-Fluorophenyl)methyl]-8-methoxy-5-methylpyrimido[5,4-b]indol-4-one
CID 1868402
5-(4-Fluorophenyl)-7,8-dihydro-N-(2-methoxybenzyl)-N,7-dimethyl-8-oxo-6-pyrido[3,4-b]pyridinecarboxamide
CID 9980171
(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyrido[3,2-d]pyrimidin-2-yl)ethyl)-2-(4-fluoro-3-(trifluoromethyl)phenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 46883301
2-(6-(6-((dimethylamino)methyl)pyridin-2-yl)-2-(3-methoxyphenyl)-4-oxoquinazolin-3(4H)-yl)-N-isopropylacetamide
CID 54581898
6-(4-fluorophenoxy)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 57345597
(6S)-6-benzyl-1-[(3-methoxyphenyl)methyl]-4-[5-(trifluoromethyl)pyridine-2-carbonyl]piperazin-2-one
CID 122600829
(6S)-6-benzyl-1-[(3-methoxyphenyl)methyl]-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one
CID 122600845
10-methoxyluotonin A
CID 16725101
3-(2,4-Difluorophenyl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134808633
3-(2,4-Difluorophenyl)-6-[3-(methoxymethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
CID 134810714
1-Benzyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810844

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one (CID 134806260) is 3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one is COc1cccc(-c2ccc3ncn(-c4ccc(F)cc4F)c(=O)c3n2)c1.
What is the InChIKey of 3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is GPFHSTCIUDBPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O2/c1-27-14-4-2-3-12(9-14)16-6-7-17-19(24-16)20(26)25(11-23-17)18-8-5-13(21)10-15(18)22/h2-11H,1H3.
What are the key properties of 3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 365.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134806260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).