2-N-(5-chloro-2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride

C15H14Cl2N4O — CID 2972068

IUPAC2-N-(5-chloro-2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride
SMILESCOc1ccc(Cl)cc1Nc1nc(N)c2ccccc2n1.Cl
InChIInChI=1S/C15H13ClN4O.ClH/c1-21-13-7-6-9(16)8-12(13)19-15-18-11-5-3-2-4-10(11)14(17)20-15;/h2-8H,1H3,(H3,17,18,19,20);1H
InChIKeyBTGTVBXGRKSMSX-UHFFFAOYSA-N
MW337.21 g/mol
LogP4.04
Rot. Bonds3

About 2-N-(5-chloro-2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride

2-N-(5-chloro-2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride (PubChem CID 2972068) has the molecular formula C15H14Cl2N4O and a molecular weight of 337.21 g/mol. Its IUPAC name is 2-N-(5-chloro-2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-(5-chloro-2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride
PubChem CID2972068
Molecular FormulaC15H14Cl2N4O
Molecular Weight337.21 g/mol
Exact Mass336.05
IUPAC Name2-N-(5-chloro-2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride
SMILESCOc1ccc(Cl)cc1Nc1nc(N)c2ccccc2n1.Cl
InChIInChI=1S/C15H13ClN4O.ClH/c1-21-13-7-6-9(16)8-12(13)19-15-18-11-5-3-2-4-10(11)14(17)20-15;/h2-8H,1H3,(H3,17,18,19,20);1H
InChIKeyBTGTVBXGRKSMSX-UHFFFAOYSA-N
XLogP4.04
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-(5-chloro-2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride 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-N-(5-chloro-2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride?
The IUPAC name of 2-N-(5-chloro-2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride (CID 2972068) is 2-N-(5-chloro-2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N-(5-chloro-2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N-(5-chloro-2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride is COc1ccc(Cl)cc1Nc1nc(N)c2ccccc2n1.Cl.
What is the InChIKey of 2-N-(5-chloro-2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride?
The InChIKey is BTGTVBXGRKSMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O.ClH/c1-21-13-7-6-9(16)8-12(13)19-15-18-11-5-3-2-4-10(11)14(17)20-15;/h2-8H,1H3,(H3,17,18,19,20);1H.
What are the key properties of 2-N-(5-chloro-2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride?
2-N-(5-chloro-2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride has a molecular weight of 337.21 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride is sourced from PubChem (CID 2972068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).