2-(2,4-difluoro-6-nitrophenyl)-3H-quinazolin-4-one

C14H7F2N3O3 — CID 168553326

IUPAC2-(2,4-difluoro-6-nitrophenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2c(F)cc(F)cc2[N+](=O)[O-])nc2ccccc12
InChIInChI=1S/C14H7F2N3O3/c15-7-5-9(16)12(11(6-7)19(21)22)13-17-10-4-2-1-3-8(10)14(20)18-13/h1-6H,(H,17,18,20)
InChIKeyKCYLHCOLFIHELY-UHFFFAOYSA-N
MW303.22 g/mol
LogP2.78
Rot. Bonds2

About 2-(2,4-difluoro-6-nitrophenyl)-3H-quinazolin-4-one

2-(2,4-difluoro-6-nitrophenyl)-3H-quinazolin-4-one (PubChem CID 168553326) has the molecular formula C14H7F2N3O3 and a molecular weight of 303.22 g/mol. Its IUPAC name is 2-(2,4-difluoro-6-nitrophenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2,4-difluoro-6-nitrophenyl)-3H-quinazolin-4-one
PubChem CID168553326
Molecular FormulaC14H7F2N3O3
Molecular Weight303.22 g/mol
Exact Mass303.05
IUPAC Name2-(2,4-difluoro-6-nitrophenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2c(F)cc(F)cc2[N+](=O)[O-])nc2ccccc12
InChIInChI=1S/C14H7F2N3O3/c15-7-5-9(16)12(11(6-7)19(21)22)13-17-10-4-2-1-3-8(10)14(20)18-13/h1-6H,(H,17,18,20)
InChIKeyKCYLHCOLFIHELY-UHFFFAOYSA-N
XLogP2.78
TPSA88.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2,4-difluoro-6-nitrophenyl)-3H-quinazolin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-fluoro-4-methoxy-5-nitrophenyl)-3H-quinazolin-4-one
CID 168552902
2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one
CID 168550827
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(2-iodo-3-nitrophenyl)-3H-quinazolin-4-one
CID 168552944
2-(4-methylsulfonyl-2-nitrophenyl)-3H-quinazolin-4-one
CID 168553037
2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one
CID 168553260
2-(3-fluoro-5-methoxyphenyl)-3H-quinazolin-4-one
CID 168550809
3-fluoro-2-(4-oxo-3H-quinazolin-2-yl)benzoic acid
CID 168553324
2-[3,6-difluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552915
2-[2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-3H-quinazolin-4-one
CID 137048184
2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one
CID 168550701
2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
CID 168550718

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoro-6-nitrophenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(2,4-difluoro-6-nitrophenyl)-3H-quinazolin-4-one (CID 168553326) is 2-(2,4-difluoro-6-nitrophenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2,4-difluoro-6-nitrophenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(2,4-difluoro-6-nitrophenyl)-3H-quinazolin-4-one is O=c1[nH]c(-c2c(F)cc(F)cc2[N+](=O)[O-])nc2ccccc12.
What is the InChIKey of 2-(2,4-difluoro-6-nitrophenyl)-3H-quinazolin-4-one?
The InChIKey is KCYLHCOLFIHELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F2N3O3/c15-7-5-9(16)12(11(6-7)19(21)22)13-17-10-4-2-1-3-8(10)14(20)18-13/h1-6H,(H,17,18,20).
What are the key properties of 2-(2,4-difluoro-6-nitrophenyl)-3H-quinazolin-4-one?
2-(2,4-difluoro-6-nitrophenyl)-3H-quinazolin-4-one has a molecular weight of 303.22 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoro-6-nitrophenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168553326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).