6-(3-fluoro-4-hydroxyphenyl)-3-phenylpyrido[3,2-d]pyrimidin-4-one

C19H12FN3O2 — CID 137279418

IUPAC6-(3-fluoro-4-hydroxyphenyl)-3-phenylpyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(-c3ccc(O)c(F)c3)ccc2ncn1-c1ccccc1
InChIInChI=1S/C19H12FN3O2/c20-14-10-12(6-9-17(14)24)15-7-8-16-18(22-15)19(25)23(11-21-16)13-4-2-1-3-5-13/h1-11,24H
InChIKeyPSVQAXIHRMUXME-UHFFFAOYSA-N
MW333.32 g/mol
LogP3.29
Rot. Bonds2

About 6-(3-fluoro-4-hydroxyphenyl)-3-phenylpyrido[3,2-d]pyrimidin-4-one

6-(3-fluoro-4-hydroxyphenyl)-3-phenylpyrido[3,2-d]pyrimidin-4-one (PubChem CID 137279418) has the molecular formula C19H12FN3O2 and a molecular weight of 333.32 g/mol. Its IUPAC name is 6-(3-fluoro-4-hydroxyphenyl)-3-phenylpyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(3-fluoro-4-hydroxyphenyl)-3-phenylpyrido[3,2-d]pyrimidin-4-one
PubChem CID137279418
Molecular FormulaC19H12FN3O2
Molecular Weight333.32 g/mol
Exact Mass333.09
IUPAC Name6-(3-fluoro-4-hydroxyphenyl)-3-phenylpyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(-c3ccc(O)c(F)c3)ccc2ncn1-c1ccccc1
InChIInChI=1S/C19H12FN3O2/c20-14-10-12(6-9-17(14)24)15-7-8-16-18(22-15)19(25)23(11-21-16)13-4-2-1-3-5-13/h1-11,24H
InChIKeyPSVQAXIHRMUXME-UHFFFAOYSA-N
XLogP3.29
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-Difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134806260
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
6-(3-Fluoro-4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810871
6-(3-Fluoro-4-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
CID 137279420
6-(3-Hydroxyphenyl)-3-phenylpyrido[3,2-d]pyrimidin-4-one
CID 134805586
6-(3-Hydroxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one
CID 134805941
3-Cyclopropyl-6-(3-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810923
3-(2,4-Difluorophenyl)-6-(2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134806611
1-Benzyl-6-(2-fluoro-6-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810890
1-Benzyl-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 137279417

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-hydroxyphenyl)-3-phenylpyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(3-fluoro-4-hydroxyphenyl)-3-phenylpyrido[3,2-d]pyrimidin-4-one (CID 137279418) is 6-(3-fluoro-4-hydroxyphenyl)-3-phenylpyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(3-fluoro-4-hydroxyphenyl)-3-phenylpyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(3-fluoro-4-hydroxyphenyl)-3-phenylpyrido[3,2-d]pyrimidin-4-one is O=c1c2nc(-c3ccc(O)c(F)c3)ccc2ncn1-c1ccccc1.
What is the InChIKey of 6-(3-fluoro-4-hydroxyphenyl)-3-phenylpyrido[3,2-d]pyrimidin-4-one?
The InChIKey is PSVQAXIHRMUXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O2/c20-14-10-12(6-9-17(14)24)15-7-8-16-18(22-15)19(25)23(11-21-16)13-4-2-1-3-5-13/h1-11,24H.
What are the key properties of 6-(3-fluoro-4-hydroxyphenyl)-3-phenylpyrido[3,2-d]pyrimidin-4-one?
6-(3-fluoro-4-hydroxyphenyl)-3-phenylpyrido[3,2-d]pyrimidin-4-one has a molecular weight of 333.32 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-hydroxyphenyl)-3-phenylpyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137279418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).