2-phenylquinazoline-7-carbonyl chloride

C15H9ClN2O — CID 169130790

IUPAC2-phenylquinazoline-7-carbonyl chloride
SMILESO=C(Cl)c1ccc2cnc(-c3ccccc3)nc2c1
InChIInChI=1S/C15H9ClN2O/c16-14(19)11-6-7-12-9-17-15(18-13(12)8-11)10-4-2-1-3-5-10/h1-9H
InChIKeyDNTDFJUDEIPCTH-UHFFFAOYSA-N
MW268.70 g/mol
LogP3.68
Rot. Bonds2

About 2-phenylquinazoline-7-carbonyl chloride

2-phenylquinazoline-7-carbonyl chloride (PubChem CID 169130790) has the molecular formula C15H9ClN2O and a molecular weight of 268.70 g/mol. Its IUPAC name is 2-phenylquinazoline-7-carbonyl chloride.

Molecular Properties

Compound Name2-phenylquinazoline-7-carbonyl chloride
PubChem CID169130790
Molecular FormulaC15H9ClN2O
Molecular Weight268.70 g/mol
Exact Mass268.04
IUPAC Name2-phenylquinazoline-7-carbonyl chloride
SMILESO=C(Cl)c1ccc2cnc(-c3ccccc3)nc2c1
InChIInChI=1S/C15H9ClN2O/c16-14(19)11-6-7-12-9-17-15(18-13(12)8-11)10-4-2-1-3-5-10/h1-9H
InChIKeyDNTDFJUDEIPCTH-UHFFFAOYSA-N
XLogP3.68
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 2-phenylquinazoline-7-carbonyl chloride 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-phenylquinazoline-7-carbonyl chloride?
The IUPAC name of 2-phenylquinazoline-7-carbonyl chloride (CID 169130790) is 2-phenylquinazoline-7-carbonyl chloride.
What is the SMILES notation for 2-phenylquinazoline-7-carbonyl chloride?
The canonical SMILES for 2-phenylquinazoline-7-carbonyl chloride is O=C(Cl)c1ccc2cnc(-c3ccccc3)nc2c1.
What is the InChIKey of 2-phenylquinazoline-7-carbonyl chloride?
The InChIKey is DNTDFJUDEIPCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O/c16-14(19)11-6-7-12-9-17-15(18-13(12)8-11)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 2-phenylquinazoline-7-carbonyl chloride?
2-phenylquinazoline-7-carbonyl chloride has a molecular weight of 268.70 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylquinazoline-7-carbonyl chloride is sourced from PubChem (CID 169130790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).