4-chloro-2-(4-chlorophenyl)quinazoline-7-carbonyl chloride

C15H7Cl3N2O — CID 122423896

IUPAC4-chloro-2-(4-chlorophenyl)quinazoline-7-carbonyl chloride
SMILESO=C(Cl)c1ccc2c(Cl)nc(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C15H7Cl3N2O/c16-10-4-1-8(2-5-10)15-19-12-7-9(14(18)21)3-6-11(12)13(17)20-15/h1-7H
InChIKeyMKQFMIUTGDYWET-UHFFFAOYSA-N
MW337.59 g/mol
LogP4.98
Rot. Bonds2

About 4-chloro-2-(4-chlorophenyl)quinazoline-7-carbonyl chloride

4-chloro-2-(4-chlorophenyl)quinazoline-7-carbonyl chloride (PubChem CID 122423896) has the molecular formula C15H7Cl3N2O and a molecular weight of 337.59 g/mol. Its IUPAC name is 4-chloro-2-(4-chlorophenyl)quinazoline-7-carbonyl chloride.

Molecular Properties

Compound Name4-chloro-2-(4-chlorophenyl)quinazoline-7-carbonyl chloride
PubChem CID122423896
Molecular FormulaC15H7Cl3N2O
Molecular Weight337.59 g/mol
Exact Mass335.96
IUPAC Name4-chloro-2-(4-chlorophenyl)quinazoline-7-carbonyl chloride
SMILESO=C(Cl)c1ccc2c(Cl)nc(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C15H7Cl3N2O/c16-10-4-1-8(2-5-10)15-19-12-7-9(14(18)21)3-6-11(12)13(17)20-15/h1-7H
InChIKeyMKQFMIUTGDYWET-UHFFFAOYSA-N
XLogP4.98
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.59
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(4-chlorophenyl)-7-fluoroquinazoline
CID 53407921
4,7-dichloro-2-(4-phenylphenyl)quinazoline
CID 87604357
4,7-dichloro-2-(2,3-dihydro-1H-inden-5-yl)quinazoline
CID 63496786
7-bromo-4-chloro-2-(4-fluorophenyl)quinazoline
CID 114590501
2-(4-bromophenyl)-4-chloro-7-fluoroquinazoline
CID 53249844
4-chloro-2-(4-chlorophenyl)thieno[2,3-d]pyrimidine
CID 172833206
2-(4-chlorophenyl)-N-[3-(hydroxymethyl)cyclobutyl]-4-propylquinazoline-7-carboxamide
CID 122423833
4-chloro-2-(4-chlorophenyl)-6-propylquinazoline
CID 114590719
4-(7-bromo-4-chloroquinazolin-2-yl)-N,N-dimethylaniline
CID 114590522
2-phenylquinazoline-7-carbonyl chloride
CID 169130790
4,6-dichloro-2-(4-propan-2-ylphenyl)quinazoline
CID 63496784
6-amino-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid
CID 46863985

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chlorophenyl)quinazoline-7-carbonyl chloride?
The IUPAC name of 4-chloro-2-(4-chlorophenyl)quinazoline-7-carbonyl chloride (CID 122423896) is 4-chloro-2-(4-chlorophenyl)quinazoline-7-carbonyl chloride.
What is the SMILES notation for 4-chloro-2-(4-chlorophenyl)quinazoline-7-carbonyl chloride?
The canonical SMILES for 4-chloro-2-(4-chlorophenyl)quinazoline-7-carbonyl chloride is O=C(Cl)c1ccc2c(Cl)nc(-c3ccc(Cl)cc3)nc2c1.
What is the InChIKey of 4-chloro-2-(4-chlorophenyl)quinazoline-7-carbonyl chloride?
The InChIKey is MKQFMIUTGDYWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl3N2O/c16-10-4-1-8(2-5-10)15-19-12-7-9(14(18)21)3-6-11(12)13(17)20-15/h1-7H.
What are the key properties of 4-chloro-2-(4-chlorophenyl)quinazoline-7-carbonyl chloride?
4-chloro-2-(4-chlorophenyl)quinazoline-7-carbonyl chloride has a molecular weight of 337.59 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chlorophenyl)quinazoline-7-carbonyl chloride is sourced from PubChem (CID 122423896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).