4-N-benzyl-2-N-(4-chlorophenyl)quinazoline-2,4-diamine

C21H17ClN4 — CID 2351737

IUPAC4-N-benzyl-2-N-(4-chlorophenyl)quinazoline-2,4-diamine
SMILESClc1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C21H17ClN4/c22-16-10-12-17(13-11-16)24-21-25-19-9-5-4-8-18(19)20(26-21)23-14-15-6-2-1-3-7-15/h1-13H,14H2,(H2,23,24,25,26)
InChIKeyYEQRPTVLWPWZTD-UHFFFAOYSA-N
MW360.85 g/mol
LogP5.64
Rot. Bonds5

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

4-N-benzyl-2-N-(4-chlorophenyl)quinazoline-2,4-diamine (PubChem CID 2351737) has the molecular formula C21H17ClN4 and a molecular weight of 360.85 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(4-chlorophenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-(4-chlorophenyl)quinazoline-2,4-diamine
PubChem CID2351737
Molecular FormulaC21H17ClN4
Molecular Weight360.85 g/mol
Exact Mass360.11
IUPAC Name4-N-benzyl-2-N-(4-chlorophenyl)quinazoline-2,4-diamine
SMILESClc1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C21H17ClN4/c22-16-10-12-17(13-11-16)24-21-25-19-9-5-4-8-18(19)20(26-21)23-14-15-6-2-1-3-7-15/h1-13H,14H2,(H2,23,24,25,26)
InChIKeyYEQRPTVLWPWZTD-UHFFFAOYSA-N
XLogP5.64
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.85
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
3-[(6-Chloro-4-phenylquinazolin-2-yl)amino]propan-1-ol
CID 1904923
N-Benzylquinazolin-4-amine
CID 616573
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
Importazole
CID 2949965
2,4-Quinazolinediamine, 5-chloro-
CID 205130
6-Chloro-4-phenyl-2-(piperazin-1-yl)quinazoline
CID 658787
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
N~2~-(3-chloro-4-methylphenyl)-2,4-quinazolinediamine hydrochloride
CID 2972826
4-(3-Chloroanilino)quinazoline
CID 128872
N-(2-phenylethyl)quinazolin-4-amine
CID 198909

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(4-chlorophenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-(4-chlorophenyl)quinazoline-2,4-diamine (CID 2351737) is 4-N-benzyl-2-N-(4-chlorophenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-(4-chlorophenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-(4-chlorophenyl)quinazoline-2,4-diamine is Clc1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of 4-N-benzyl-2-N-(4-chlorophenyl)quinazoline-2,4-diamine?
The InChIKey is YEQRPTVLWPWZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4/c22-16-10-12-17(13-11-16)24-21-25-19-9-5-4-8-18(19)20(26-21)23-14-15-6-2-1-3-7-15/h1-13H,14H2,(H2,23,24,25,26).
What are the key properties of 4-N-benzyl-2-N-(4-chlorophenyl)quinazoline-2,4-diamine?
4-N-benzyl-2-N-(4-chlorophenyl)quinazoline-2,4-diamine has a molecular weight of 360.85 g/mol, XLogP of 5.64, 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-(4-chlorophenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 2351737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).