4-N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-2-methanimidoylbenzene-1,4-diamine

C21H15Cl2N5 — CID 142172419

IUPAC4-N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-2-methanimidoylbenzene-1,4-diamine
SMILES[H]/N=C/c1cc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)ccc1N
InChIInChI=1S/C21H15Cl2N5/c22-13-5-7-15(17(23)10-13)20-27-19-4-2-1-3-16(19)21(28-20)26-14-6-8-18(25)12(9-14)11-24/h1-11,24H,25H2,(H,26,27,28)/b24-11+
InChIKeyYJAHSPCRCIFZFF-BHGWPJFGSA-N
MW408.29 g/mol
LogP5.93
Rot. Bonds4

About 4-N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-2-methanimidoylbenzene-1,4-diamine

4-N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-2-methanimidoylbenzene-1,4-diamine (PubChem CID 142172419) has the molecular formula C21H15Cl2N5 and a molecular weight of 408.29 g/mol. Its IUPAC name is 4-N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-2-methanimidoylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-2-methanimidoylbenzene-1,4-diamine
PubChem CID142172419
Molecular FormulaC21H15Cl2N5
Molecular Weight408.29 g/mol
Exact Mass407.07
IUPAC Name4-N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-2-methanimidoylbenzene-1,4-diamine
SMILES[H]/N=C/c1cc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)ccc1N
InChIInChI=1S/C21H15Cl2N5/c22-13-5-7-15(17(23)10-13)20-27-19-4-2-1-3-16(19)21(28-20)26-14-6-8-18(25)12(9-14)11-24/h1-11,24H,25H2,(H,26,27,28)/b24-11+
InChIKeyYJAHSPCRCIFZFF-BHGWPJFGSA-N
XLogP5.93
TPSA87.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.29
LogP ≤ 55.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-2-methanimidoylbenzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[4-(4-amino-3-methanimidoylanilino)quinazolin-2-yl]phenyl]morpholine-4-carboxamide
CID 123568175
N-[3-[4-(4-amino-3-methanimidoylanilino)quinazolin-2-yl]cyclohepta-1,3,6-trien-1-yl]-2-(methylamino)acetamide
CID 91501392
4-N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methanimidoylbenzene-1,4-diamine
CID 144828615
4-N-[2-(3-fluoro-4-phenylphenyl)-7-methoxy-6-[2-(4-methylpiperazin-1-yl)ethoxy]quinazolin-4-yl]-2-methanimidoylbenzene-1,4-diamine
CID 143665379
N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride
CID 18593626
N'-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine
CID 10126697
(Z)-N'-[2-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]ethyl]-3-hydroxyprop-2-enimidamide
CID 142253434
2-(4-amino-2-chlorophenyl)quinazolin-4-amine
CID 89358180
2-methanimidoyl-4-N-[7-methoxy-2-(3-phenylphenyl)-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]benzene-1,4-diamine
CID 90842997
2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine
CID 22692895
2-N-(2,4-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690548
methyl 2-amino-4-(4-amino-3-methanimidoylanilino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 143557169

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-2-methanimidoylbenzene-1,4-diamine?
The IUPAC name of 4-N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-2-methanimidoylbenzene-1,4-diamine (CID 142172419) is 4-N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-2-methanimidoylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-2-methanimidoylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-2-methanimidoylbenzene-1,4-diamine is [H]/N=C/c1cc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)ccc1N.
What is the InChIKey of 4-N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-2-methanimidoylbenzene-1,4-diamine?
The InChIKey is YJAHSPCRCIFZFF-BHGWPJFGSA-N. The full InChI is InChI=1S/C21H15Cl2N5/c22-13-5-7-15(17(23)10-13)20-27-19-4-2-1-3-16(19)21(28-20)26-14-6-8-18(25)12(9-14)11-24/h1-11,24H,25H2,(H,26,27,28)/b24-11+.
What are the key properties of 4-N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-2-methanimidoylbenzene-1,4-diamine?
4-N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-2-methanimidoylbenzene-1,4-diamine has a molecular weight of 408.29 g/mol, XLogP of 5.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-2-methanimidoylbenzene-1,4-diamine is sourced from PubChem (CID 142172419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).