N-(4-chlorophenyl)-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-amine

C24H21ClN4 — CID 162677755

IUPACN-(4-chlorophenyl)-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-amine
SMILESCN(C)c1ccc(/C=C/c2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C24H21ClN4/c1-29(2)20-14-7-17(8-15-20)9-16-23-27-22-6-4-3-5-21(22)24(28-23)26-19-12-10-18(25)11-13-19/h3-16H,1-2H3,(H,26,27,28)/b16-9+
InChIKeySCNPYXSXSYCHSK-CXUHLZMHSA-N
MW400.91 g/mol
LogP6.26
Rot. Bonds5

About N-(4-chlorophenyl)-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-amine

N-(4-chlorophenyl)-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-amine (PubChem CID 162677755) has the molecular formula C24H21ClN4 and a molecular weight of 400.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-amine
PubChem CID162677755
Molecular FormulaC24H21ClN4
Molecular Weight400.91 g/mol
Exact Mass400.15
IUPAC NameN-(4-chlorophenyl)-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-amine
SMILESCN(C)c1ccc(/C=C/c2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C24H21ClN4/c1-29(2)20-14-7-17(8-15-20)9-16-23-27-22-6-4-3-5-21(22)24(28-23)26-19-12-10-18(25)11-13-19/h3-16H,1-2H3,(H,26,27,28)/b16-9+
InChIKeySCNPYXSXSYCHSK-CXUHLZMHSA-N
XLogP6.26
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.91
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze N-(4-chlorophenyl)-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-amine 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

4-[(E)-2-[4-(4-chloroanilino)quinazolin-2-yl]ethenyl]phenol
CID 162677781
2-chloro-N-(4-chlorophenyl)quinazolin-4-amine
CID 22692704
2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720832
1-N-(2-chloroacridin-9-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 177371668
N'-[2-[2-(4-chlorophenyl)ethenyl]quinazolin-4-yl]octane-1,8-diamine
CID 69150856
N'-[2-[2-(4-chlorophenyl)ethenyl]quinazolin-4-yl]pentane-1,5-diamine;dihydrochloride
CID 69150434
4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline
CID 58649433
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
N-ethyl-2-(2-phenylethenyl)quinazolin-4-amine
CID 58017075
4-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinolin-4-yl]ethenyl]-N,N-dimethylaniline
CID 7085505
(E)-1-[4-[[4-(4-chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 45028715
2-[3-[[2-[(E)-2-(4-chlorophenyl)ethenyl]quinazolin-4-yl]amino]propyl]guanidine
CID 22667933

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-amine (CID 162677755) is N-(4-chlorophenyl)-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-amine is CN(C)c1ccc(/C=C/c2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-amine?
The InChIKey is SCNPYXSXSYCHSK-CXUHLZMHSA-N. The full InChI is InChI=1S/C24H21ClN4/c1-29(2)20-14-7-17(8-15-20)9-16-23-27-22-6-4-3-5-21(22)24(28-23)26-19-12-10-18(25)11-13-19/h3-16H,1-2H3,(H,26,27,28)/b16-9+.
What are the key properties of N-(4-chlorophenyl)-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-amine?
N-(4-chlorophenyl)-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-amine has a molecular weight of 400.91 g/mol, XLogP of 6.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-amine is sourced from PubChem (CID 162677755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).