4-N-benzyl-2-N-(3-chlorophenyl)quinazoline-2,4-diamine;hydrochloride

C21H18Cl2N4 — CID 44658873

IUPAC4-N-benzyl-2-N-(3-chlorophenyl)quinazoline-2,4-diamine;hydrochloride
SMILESCl.Clc1cccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C21H17ClN4.ClH/c22-16-9-6-10-17(13-16)24-21-25-19-12-5-4-11-18(19)20(26-21)23-14-15-7-2-1-3-8-15;/h1-13H,14H2,(H2,23,24,25,26);1H
InChIKeyNPFFPVKJAOWJSZ-UHFFFAOYSA-N
MW397.31 g/mol
LogP6.06
Rot. Bonds5

About 4-N-benzyl-2-N-(3-chlorophenyl)quinazoline-2,4-diamine;hydrochloride

4-N-benzyl-2-N-(3-chlorophenyl)quinazoline-2,4-diamine;hydrochloride (PubChem CID 44658873) has the molecular formula C21H18Cl2N4 and a molecular weight of 397.31 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(3-chlorophenyl)quinazoline-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name4-N-benzyl-2-N-(3-chlorophenyl)quinazoline-2,4-diamine;hydrochloride
PubChem CID44658873
Molecular FormulaC21H18Cl2N4
Molecular Weight397.31 g/mol
Exact Mass396.09
IUPAC Name4-N-benzyl-2-N-(3-chlorophenyl)quinazoline-2,4-diamine;hydrochloride
SMILESCl.Clc1cccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C21H17ClN4.ClH/c22-16-9-6-10-17(13-16)24-21-25-19-12-5-4-11-18(19)20(26-21)23-14-15-7-2-1-3-8-15;/h1-13H,14H2,(H2,23,24,25,26);1H
InChIKeyNPFFPVKJAOWJSZ-UHFFFAOYSA-N
XLogP6.06
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.31
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 46850879
2-N-(3-chlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963528
N-[(3-chlorophenyl)methyl]-2-hydrazinylquinazolin-4-amine
CID 80903388
2-N,4-N-dibenzyl-6-chloroquinazoline-2,4-diamine
CID 46224520
N-benzyl-2-[(3-chlorophenyl)methyl]quinazolin-4-amine
CID 58523909
4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dichlorophenyl)quinazoline-2,4-diamine
CID 71690720
4-N-benzyl-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine
CID 46224524
3-N-(3-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]quinoxaline-2,3-diamine
CID 175722599
4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine
CID 155562073
2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690550
2-[[2-(3-chloroanilino)quinazolin-4-yl]amino]propanoic acid
CID 91963906
4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80750131

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(3-chlorophenyl)quinazoline-2,4-diamine;hydrochloride?
The IUPAC name of 4-N-benzyl-2-N-(3-chlorophenyl)quinazoline-2,4-diamine;hydrochloride (CID 44658873) is 4-N-benzyl-2-N-(3-chlorophenyl)quinazoline-2,4-diamine;hydrochloride.
What is the SMILES notation for 4-N-benzyl-2-N-(3-chlorophenyl)quinazoline-2,4-diamine;hydrochloride?
The canonical SMILES for 4-N-benzyl-2-N-(3-chlorophenyl)quinazoline-2,4-diamine;hydrochloride is Cl.Clc1cccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)c1.
What is the InChIKey of 4-N-benzyl-2-N-(3-chlorophenyl)quinazoline-2,4-diamine;hydrochloride?
The InChIKey is NPFFPVKJAOWJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4.ClH/c22-16-9-6-10-17(13-16)24-21-25-19-12-5-4-11-18(19)20(26-21)23-14-15-7-2-1-3-8-15;/h1-13H,14H2,(H2,23,24,25,26);1H.
What are the key properties of 4-N-benzyl-2-N-(3-chlorophenyl)quinazoline-2,4-diamine;hydrochloride?
4-N-benzyl-2-N-(3-chlorophenyl)quinazoline-2,4-diamine;hydrochloride has a molecular weight of 397.31 g/mol, XLogP of 6.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-(3-chlorophenyl)quinazoline-2,4-diamine;hydrochloride is sourced from PubChem (CID 44658873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).