1-N-(7-chloroquinazolin-4-yl)-2-N-phenylpropane-1,2-diamine

C17H17ClN4 — CID 133346889

IUPAC1-N-(7-chloroquinazolin-4-yl)-2-N-phenylpropane-1,2-diamine
SMILESCC(CNc1ncnc2cc(Cl)ccc12)Nc1ccccc1
InChIInChI=1S/C17H17ClN4/c1-12(22-14-5-3-2-4-6-14)10-19-17-15-8-7-13(18)9-16(15)20-11-21-17/h2-9,11-12,22H,10H2,1H3,(H,19,20,21)
InChIKeyAFPCJOQEMIHZAV-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.20
Rot. Bonds5

About 1-N-(7-chloroquinazolin-4-yl)-2-N-phenylpropane-1,2-diamine

1-N-(7-chloroquinazolin-4-yl)-2-N-phenylpropane-1,2-diamine (PubChem CID 133346889) has the molecular formula C17H17ClN4 and a molecular weight of 312.80 g/mol. Its IUPAC name is 1-N-(7-chloroquinazolin-4-yl)-2-N-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(7-chloroquinazolin-4-yl)-2-N-phenylpropane-1,2-diamine
PubChem CID133346889
Molecular FormulaC17H17ClN4
Molecular Weight312.80 g/mol
Exact Mass312.11
IUPAC Name1-N-(7-chloroquinazolin-4-yl)-2-N-phenylpropane-1,2-diamine
SMILESCC(CNc1ncnc2cc(Cl)ccc12)Nc1ccccc1
InChIInChI=1S/C17H17ClN4/c1-12(22-14-5-3-2-4-6-14)10-19-17-15-8-7-13(18)9-16(15)20-11-21-17/h2-9,11-12,22H,10H2,1H3,(H,19,20,21)
InChIKeyAFPCJOQEMIHZAV-UHFFFAOYSA-N
XLogP4.20
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-(7-chloroquinazolin-4-yl)-2-N-phenylpropane-1,2-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

7-chloro-N-[2-(3-chlorophenyl)propyl]quinazolin-4-amine
CID 166321938
7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane
CID 156733545
2-[(7-chloroquinazolin-4-yl)amino]-1-(furan-2-yl)ethanol
CID 110889677
7-chloro-N-[(2,4-dichlorophenyl)methyl]quinazolin-4-amine
CID 1490538
2-[(7-chloroquinazolin-4-yl)amino]-1-cyclopentylethanol
CID 133307011
7-chloro-N-(3-chlorophenyl)quinazolin-4-amine
CID 1475054
7-chloro-N-(4-propan-2-ylphenyl)quinazolin-4-amine
CID 1475072
2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol
CID 86910047
7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine
CID 91647410
4-N-(2-phenylpropyl)quinazoline-4,7-diamine
CID 104591254
7-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine
CID 86809014
2-[(7-chloroquinazolin-4-yl)amino]-2-phenylacetamide
CID 86920499

Frequently Asked Questions

What is the IUPAC name of 1-N-(7-chloroquinazolin-4-yl)-2-N-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-(7-chloroquinazolin-4-yl)-2-N-phenylpropane-1,2-diamine (CID 133346889) is 1-N-(7-chloroquinazolin-4-yl)-2-N-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(7-chloroquinazolin-4-yl)-2-N-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-(7-chloroquinazolin-4-yl)-2-N-phenylpropane-1,2-diamine is CC(CNc1ncnc2cc(Cl)ccc12)Nc1ccccc1.
What is the InChIKey of 1-N-(7-chloroquinazolin-4-yl)-2-N-phenylpropane-1,2-diamine?
The InChIKey is AFPCJOQEMIHZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4/c1-12(22-14-5-3-2-4-6-14)10-19-17-15-8-7-13(18)9-16(15)20-11-21-17/h2-9,11-12,22H,10H2,1H3,(H,19,20,21).
What are the key properties of 1-N-(7-chloroquinazolin-4-yl)-2-N-phenylpropane-1,2-diamine?
1-N-(7-chloroquinazolin-4-yl)-2-N-phenylpropane-1,2-diamine has a molecular weight of 312.80 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(7-chloroquinazolin-4-yl)-2-N-phenylpropane-1,2-diamine is sourced from PubChem (CID 133346889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).