7-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylquinazolin-4-amine

C20H18ClN5 — CID 68862663

IUPAC7-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylquinazolin-4-amine
SMILESClc1ccc2c(NCCCn3ccnc3)nc(-c3ccccc3)nc2c1
InChIInChI=1S/C20H18ClN5/c21-16-7-8-17-18(13-16)24-19(15-5-2-1-3-6-15)25-20(17)23-9-4-11-26-12-10-22-14-26/h1-3,5-8,10,12-14H,4,9,11H2,(H,23,24,25)
InChIKeyNTPFDVFKSZYEPC-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.65
Rot. Bonds6

About 7-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylquinazolin-4-amine

7-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylquinazolin-4-amine (PubChem CID 68862663) has the molecular formula C20H18ClN5 and a molecular weight of 363.85 g/mol. Its IUPAC name is 7-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylquinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylquinazolin-4-amine
PubChem CID68862663
Molecular FormulaC20H18ClN5
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name7-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylquinazolin-4-amine
SMILESClc1ccc2c(NCCCn3ccnc3)nc(-c3ccccc3)nc2c1
InChIInChI=1S/C20H18ClN5/c21-16-7-8-17-18(13-16)24-19(15-5-2-1-3-6-15)25-20(17)23-9-4-11-26-12-10-22-14-26/h1-3,5-8,10,12-14H,4,9,11H2,(H,23,24,25)
InChIKeyNTPFDVFKSZYEPC-UHFFFAOYSA-N
XLogP4.65
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylquinazolin-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-imidazol-1-ylpropyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4025230
N-(3-imidazol-1-ylpropyl)-2-phenylpyrazolo[1,5-a]quinazolin-5-amine
CID 73333742
N-(3-imidazol-1-ylpropyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
CID 3610950
N-(3-imidazol-1-ylpropyl)-4-phenylphthalazin-1-amine
CID 11438900
2-(4-chlorophenyl)-N-[3-(4-propylpiperazin-1-yl)propyl]quinazolin-4-amine
CID 20963288
N-[2-[(7-chloro-2-phenylquinazolin-4-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 42809231
2-(3-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
CID 17372668
4,7-dichloro-2-(4-phenylphenyl)quinazoline
CID 87604357
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-(4-chlorophenyl)-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 23816109
6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine
CID 4106530
6-chloro-N-(3-imidazol-1-ylpropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82460088
3,5-difluoro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridin-2-amine
CID 114073280

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylquinazolin-4-amine?
The IUPAC name of 7-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylquinazolin-4-amine (CID 68862663) is 7-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylquinazolin-4-amine.
What is the SMILES notation for 7-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylquinazolin-4-amine?
The canonical SMILES for 7-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylquinazolin-4-amine is Clc1ccc2c(NCCCn3ccnc3)nc(-c3ccccc3)nc2c1.
What is the InChIKey of 7-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylquinazolin-4-amine?
The InChIKey is NTPFDVFKSZYEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5/c21-16-7-8-17-18(13-16)24-19(15-5-2-1-3-6-15)25-20(17)23-9-4-11-26-12-10-22-14-26/h1-3,5-8,10,12-14H,4,9,11H2,(H,23,24,25).
What are the key properties of 7-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylquinazolin-4-amine?
7-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylquinazolin-4-amine has a molecular weight of 363.85 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylquinazolin-4-amine is sourced from PubChem (CID 68862663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).