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

C20H14FN3O2 — CID 137279417

IUPAC1-benzyl-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1ncn(Cc2ccccc2)c2ccc(-c3ccc(O)c(F)c3)nc12
InChIInChI=1S/C20H14FN3O2/c21-15-10-14(6-9-18(15)25)16-7-8-17-19(23-16)20(26)22-12-24(17)11-13-4-2-1-3-5-13/h1-10,12,25H,11H2
InChIKeyARECZDQDLBMYIZ-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.35
Rot. Bonds3

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

1-benzyl-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 137279417) has the molecular formula C20H14FN3O2 and a molecular weight of 347.35 g/mol. Its IUPAC name is 1-benzyl-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-benzyl-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID137279417
Molecular FormulaC20H14FN3O2
Molecular Weight347.35 g/mol
Exact Mass347.11
IUPAC Name1-benzyl-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1ncn(Cc2ccccc2)c2ccc(-c3ccc(O)c(F)c3)nc12
InChIInChI=1S/C20H14FN3O2/c21-15-10-14(6-9-18(15)25)16-7-8-17-19(23-16)20(26)22-12-24(17)11-13-4-2-1-3-5-13/h1-10,12,25H,11H2
InChIKeyARECZDQDLBMYIZ-UHFFFAOYSA-N
XLogP3.35
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Botryllazine B
CID 135410323
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-phenylpyrido[3,2-d]pyrimidin-4-one
CID 137279418
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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 1-benzyl-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one (CID 137279417) is 1-benzyl-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 1-benzyl-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 1-benzyl-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one is O=c1ncn(Cc2ccccc2)c2ccc(-c3ccc(O)c(F)c3)nc12.
What is the InChIKey of 1-benzyl-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is ARECZDQDLBMYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2/c21-15-10-14(6-9-18(15)25)16-7-8-17-19(23-16)20(26)22-12-24(17)11-13-4-2-1-3-5-13/h1-10,12,25H,11H2.
What are the key properties of 1-benzyl-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
1-benzyl-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 347.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137279417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).