3-fluoro-2-(2-methyl-4-pyridinyl)quinazolin-4-one

C14H10FN3O — CID 151433841

IUPAC3-fluoro-2-(2-methyl-4-pyridinyl)quinazolin-4-one
SMILESCc1cc(-c2nc3ccccc3c(=O)n2F)ccn1
InChIInChI=1S/C14H10FN3O/c1-9-8-10(6-7-16-9)13-17-12-5-3-2-4-11(12)14(19)18(13)15/h2-8H,1H3
InChIKeyPDBOKXJDZPWXCZ-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.50
Rot. Bonds1

About 3-fluoro-2-(2-methyl-4-pyridinyl)quinazolin-4-one

3-fluoro-2-(2-methyl-4-pyridinyl)quinazolin-4-one (PubChem CID 151433841) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 3-fluoro-2-(2-methyl-4-pyridinyl)quinazolin-4-one.

Molecular Properties

Compound Name3-fluoro-2-(2-methyl-4-pyridinyl)quinazolin-4-one
PubChem CID151433841
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name3-fluoro-2-(2-methyl-4-pyridinyl)quinazolin-4-one
SMILESCc1cc(-c2nc3ccccc3c(=O)n2F)ccn1
InChIInChI=1S/C14H10FN3O/c1-9-8-10(6-7-16-9)13-17-12-5-3-2-4-11(12)14(19)18(13)15/h2-8H,1H3
InChIKeyPDBOKXJDZPWXCZ-UHFFFAOYSA-N
XLogP2.50
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methyl-4-pyridinyl)benzimidazol-1-yl]acetic acid
CID 106753326
2-(4-methylphenyl)-3-(4-methyl-2-pyridinyl)quinazolin-4-one
CID 716780
2-methyl-3-(4-oxo-2-phenylquinazolin-3-yl)quinazolin-4-one
CID 11245968
3-fluoro-4-oxoquinazoline-2-carboxylic acid
CID 174525480
iodomethane;2-methyl-4-phenylpyridine
CID 143719183
2-methyl-3-pyrrol-1-ylquinazolin-4-one
CID 15619789
3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247436
3-methyl-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide
CID 23881942
ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one
CID 142888475
N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]pyridine-2-carboxamide
CID 170732450
2-phenyl-3-quinolin-5-ylquinazolin-4-one
CID 12722024
2-(4-methylphenyl)-3-(6-methyl-2-pyridinyl)quinazolin-4-one
CID 829438

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2-methyl-4-pyridinyl)quinazolin-4-one?
The IUPAC name of 3-fluoro-2-(2-methyl-4-pyridinyl)quinazolin-4-one (CID 151433841) is 3-fluoro-2-(2-methyl-4-pyridinyl)quinazolin-4-one.
What is the SMILES notation for 3-fluoro-2-(2-methyl-4-pyridinyl)quinazolin-4-one?
The canonical SMILES for 3-fluoro-2-(2-methyl-4-pyridinyl)quinazolin-4-one is Cc1cc(-c2nc3ccccc3c(=O)n2F)ccn1.
What is the InChIKey of 3-fluoro-2-(2-methyl-4-pyridinyl)quinazolin-4-one?
The InChIKey is PDBOKXJDZPWXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c1-9-8-10(6-7-16-9)13-17-12-5-3-2-4-11(12)14(19)18(13)15/h2-8H,1H3.
What are the key properties of 3-fluoro-2-(2-methyl-4-pyridinyl)quinazolin-4-one?
3-fluoro-2-(2-methyl-4-pyridinyl)quinazolin-4-one has a molecular weight of 255.25 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2-methyl-4-pyridinyl)quinazolin-4-one is sourced from PubChem (CID 151433841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).