6-(3-chlorophenyl)quinazolin-4-amine

C14H10ClN3 — CID 72705109

IUPAC6-(3-chlorophenyl)quinazolin-4-amine
SMILESNc1ncnc2ccc(-c3cccc(Cl)c3)cc12
InChIInChI=1S/C14H10ClN3/c15-11-3-1-2-9(6-11)10-4-5-13-12(7-10)14(16)18-8-17-13/h1-8H,(H2,16,17,18)
InChIKeyNFVSMRPXCHVTAG-UHFFFAOYSA-N
MW255.71 g/mol
LogP3.53
Rot. Bonds1

About 6-(3-chlorophenyl)quinazolin-4-amine

6-(3-chlorophenyl)quinazolin-4-amine (PubChem CID 72705109) has the molecular formula C14H10ClN3 and a molecular weight of 255.71 g/mol. Its IUPAC name is 6-(3-chlorophenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(3-chlorophenyl)quinazolin-4-amine
PubChem CID72705109
Molecular FormulaC14H10ClN3
Molecular Weight255.71 g/mol
Exact Mass255.06
IUPAC Name6-(3-chlorophenyl)quinazolin-4-amine
SMILESNc1ncnc2ccc(-c3cccc(Cl)c3)cc12
InChIInChI=1S/C14H10ClN3/c15-11-3-1-2-9(6-11)10-4-5-13-12(7-10)14(16)18-8-17-13/h1-8H,(H2,16,17,18)
InChIKeyNFVSMRPXCHVTAG-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

Analyze 6-(3-chlorophenyl)quinazolin-4-amine 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 6-(3-chlorophenyl)quinazolin-4-amine?
The IUPAC name of 6-(3-chlorophenyl)quinazolin-4-amine (CID 72705109) is 6-(3-chlorophenyl)quinazolin-4-amine.
What is the SMILES notation for 6-(3-chlorophenyl)quinazolin-4-amine?
The canonical SMILES for 6-(3-chlorophenyl)quinazolin-4-amine is Nc1ncnc2ccc(-c3cccc(Cl)c3)cc12.
What is the InChIKey of 6-(3-chlorophenyl)quinazolin-4-amine?
The InChIKey is NFVSMRPXCHVTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3/c15-11-3-1-2-9(6-11)10-4-5-13-12(7-10)14(16)18-8-17-13/h1-8H,(H2,16,17,18).
What are the key properties of 6-(3-chlorophenyl)quinazolin-4-amine?
6-(3-chlorophenyl)quinazolin-4-amine 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 6-(3-chlorophenyl)quinazolin-4-amine is sourced from PubChem (CID 72705109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).