4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine

C14H10Cl2N4 — CID 80755119

IUPAC4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine
SMILESNc1nc(Nc2cccc(Cl)c2Cl)c2ccccc2n1
InChIInChI=1S/C14H10Cl2N4/c15-9-5-3-7-11(12(9)16)18-13-8-4-1-2-6-10(8)19-14(17)20-13/h1-7H,(H3,17,18,19,20)
InChIKeyQPCDVRQTMRYKGD-UHFFFAOYSA-N
MW305.17 g/mol
LogP4.26
Rot. Bonds2

About 4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine

4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine (PubChem CID 80755119) has the molecular formula C14H10Cl2N4 and a molecular weight of 305.17 g/mol. Its IUPAC name is 4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine
PubChem CID80755119
Molecular FormulaC14H10Cl2N4
Molecular Weight305.17 g/mol
Exact Mass304.03
IUPAC Name4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine
SMILESNc1nc(Nc2cccc(Cl)c2Cl)c2ccccc2n1
InChIInChI=1S/C14H10Cl2N4/c15-9-5-3-7-11(12(9)16)18-13-8-4-1-2-6-10(8)19-14(17)20-13/h1-7H,(H3,17,18,19,20)
InChIKeyQPCDVRQTMRYKGD-UHFFFAOYSA-N
XLogP4.26
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine 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 4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine (CID 80755119) is 4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine is Nc1nc(Nc2cccc(Cl)c2Cl)c2ccccc2n1.
What is the InChIKey of 4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine?
The InChIKey is QPCDVRQTMRYKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4/c15-9-5-3-7-11(12(9)16)18-13-8-4-1-2-6-10(8)19-14(17)20-13/h1-7H,(H3,17,18,19,20).
What are the key properties of 4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine?
4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine has a molecular weight of 305.17 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 80755119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).