2-(5-fluoro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one

C15H14FN3O — CID 79713618

IUPAC2-(5-fluoro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2cnc(-c3ccc(F)cn3)nc2C1
InChIInChI=1S/C15H14FN3O/c1-15(2)5-12-10(13(20)6-15)8-18-14(19-12)11-4-3-9(16)7-17-11/h3-4,7-8H,5-6H2,1-2H3
InChIKeyNDYNVDJWNJMGKX-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.83
Rot. Bonds1

About 2-(5-fluoro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one

2-(5-fluoro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 79713618) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
PubChem CID79713618
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name2-(5-fluoro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2cnc(-c3ccc(F)cn3)nc2C1
InChIInChI=1S/C15H14FN3O/c1-15(2)5-12-10(13(20)6-15)8-18-14(19-12)11-4-3-9(16)7-17-11/h3-4,7-8H,5-6H2,1-2H3
InChIKeyNDYNVDJWNJMGKX-UHFFFAOYSA-N
XLogP2.83
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-fluoro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (CID 79713618) is 2-(5-fluoro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is CC1(C)CC(=O)c2cnc(-c3ccc(F)cn3)nc2C1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is NDYNVDJWNJMGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-15(2)5-12-10(13(20)6-15)8-18-14(19-12)11-4-3-9(16)7-17-11/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
2-(5-fluoro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one has a molecular weight of 271.30 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 79713618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).