N-(3-chloro-4-fluorophenyl)-7-(1H-imidazol-2-yl)quinazolin-4-amine

C17H11ClFN5 — CID 69017255

IUPACN-(3-chloro-4-fluorophenyl)-7-(1H-imidazol-2-yl)quinazolin-4-amine
SMILESFc1ccc(Nc2ncnc3cc(-c4ncc[nH]4)ccc23)cc1Cl
InChIInChI=1S/C17H11ClFN5/c18-13-8-11(2-4-14(13)19)24-17-12-3-1-10(16-20-5-6-21-16)7-15(12)22-9-23-17/h1-9H,(H,20,21)(H,22,23,24)
InChIKeyQIXWYQGGYXBNEQ-UHFFFAOYSA-N
MW339.76 g/mol
LogP4.56
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-7-(1H-imidazol-2-yl)quinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-7-(1H-imidazol-2-yl)quinazolin-4-amine (PubChem CID 69017255) has the molecular formula C17H11ClFN5 and a molecular weight of 339.76 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-7-(1H-imidazol-2-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-7-(1H-imidazol-2-yl)quinazolin-4-amine
PubChem CID69017255
Molecular FormulaC17H11ClFN5
Molecular Weight339.76 g/mol
Exact Mass339.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-7-(1H-imidazol-2-yl)quinazolin-4-amine
SMILESFc1ccc(Nc2ncnc3cc(-c4ncc[nH]4)ccc23)cc1Cl
InChIInChI=1S/C17H11ClFN5/c18-13-8-11(2-4-14(13)19)24-17-12-3-1-10(16-20-5-6-21-16)7-15(12)22-9-23-17/h1-9H,(H,20,21)(H,22,23,24)
InChIKeyQIXWYQGGYXBNEQ-UHFFFAOYSA-N
XLogP4.56
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-fluorophenyl)-7-(1H-imidazol-2-yl)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

N-(3-chloro-4-fluorophenyl)quinazolin-4-amine
CID 725409
7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458
4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride
CID 21217673
7-chloro-N-(3-chlorophenyl)quinazolin-4-amine
CID 1475054
7-chloro-N-(3-chloro-4-fluorophenyl)-6-nitroquinazolin-4-amine;hydrochloride
CID 23373693
N-(3-chloro-4-fluorophenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine
CID 10216482
N-(3-chloro-4-fluorophenyl)-6-phenylselanylquinazolin-4-amine
CID 88532585
4-[4-(3-chloro-4-fluoroanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide
CID 69180796
6-N-(3-chloro-4-fluorophenyl)-4-N-(3,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22546908
N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylamino)phenyl]quinazolin-4-amine;formaldehyde
CID 142344379
[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]urea
CID 127048977
4-N-(3-chloro-4-fluorophenyl)-7-(trifluoromethoxy)quinazoline-4,6-diamine
CID 66584139

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-7-(1H-imidazol-2-yl)quinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-7-(1H-imidazol-2-yl)quinazolin-4-amine (CID 69017255) is N-(3-chloro-4-fluorophenyl)-7-(1H-imidazol-2-yl)quinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-7-(1H-imidazol-2-yl)quinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-7-(1H-imidazol-2-yl)quinazolin-4-amine is Fc1ccc(Nc2ncnc3cc(-c4ncc[nH]4)ccc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-7-(1H-imidazol-2-yl)quinazolin-4-amine?
The InChIKey is QIXWYQGGYXBNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN5/c18-13-8-11(2-4-14(13)19)24-17-12-3-1-10(16-20-5-6-21-16)7-15(12)22-9-23-17/h1-9H,(H,20,21)(H,22,23,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-7-(1H-imidazol-2-yl)quinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-7-(1H-imidazol-2-yl)quinazolin-4-amine has a molecular weight of 339.76 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-7-(1H-imidazol-2-yl)quinazolin-4-amine is sourced from PubChem (CID 69017255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).