2-chloro-6-quinazolin-4-ylaniline

C14H10ClN3 — CID 175277016

IUPAC2-chloro-6-quinazolin-4-ylaniline
SMILESNc1c(Cl)cccc1-c1ncnc2ccccc12
InChIInChI=1S/C14H10ClN3/c15-11-6-3-5-10(13(11)16)14-9-4-1-2-7-12(9)17-8-18-14/h1-8H,16H2
InChIKeyKZOSTTLHSLRSHD-UHFFFAOYSA-N
MW255.71 g/mol
LogP3.53
Rot. Bonds1

About 2-chloro-6-quinazolin-4-ylaniline

2-chloro-6-quinazolin-4-ylaniline (PubChem CID 175277016) has the molecular formula C14H10ClN3 and a molecular weight of 255.71 g/mol. Its IUPAC name is 2-chloro-6-quinazolin-4-ylaniline.

Molecular Properties

Compound Name2-chloro-6-quinazolin-4-ylaniline
PubChem CID175277016
Molecular FormulaC14H10ClN3
Molecular Weight255.71 g/mol
Exact Mass255.06
IUPAC Name2-chloro-6-quinazolin-4-ylaniline
SMILESNc1c(Cl)cccc1-c1ncnc2ccccc12
InChIInChI=1S/C14H10ClN3/c15-11-6-3-5-10(13(11)16)14-9-4-1-2-7-12(9)17-8-18-14/h1-8H,16H2
InChIKeyKZOSTTLHSLRSHD-UHFFFAOYSA-N
XLogP3.53
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-6-quinazolin-4-ylaniline 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-chloro-6-quinazolin-4-ylaniline?
The IUPAC name of 2-chloro-6-quinazolin-4-ylaniline (CID 175277016) is 2-chloro-6-quinazolin-4-ylaniline.
What is the SMILES notation for 2-chloro-6-quinazolin-4-ylaniline?
The canonical SMILES for 2-chloro-6-quinazolin-4-ylaniline is Nc1c(Cl)cccc1-c1ncnc2ccccc12.
What is the InChIKey of 2-chloro-6-quinazolin-4-ylaniline?
The InChIKey is KZOSTTLHSLRSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3/c15-11-6-3-5-10(13(11)16)14-9-4-1-2-7-12(9)17-8-18-14/h1-8H,16H2.
What are the key properties of 2-chloro-6-quinazolin-4-ylaniline?
2-chloro-6-quinazolin-4-ylaniline has a molecular weight of 255.71 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-quinazolin-4-ylaniline is sourced from PubChem (CID 175277016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).