4-N-(3-chlorophenyl)quinazoline-4,7-diamine

C14H11ClN4 — CID 5328193

IUPAC4-N-(3-chlorophenyl)quinazoline-4,7-diamine
SMILESNc1ccc2c(Nc3cccc(Cl)c3)ncnc2c1
InChIInChI=1S/C14H11ClN4/c15-9-2-1-3-11(6-9)19-14-12-5-4-10(16)7-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)
InChIKeySHJIAUOHYKFYCU-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.61
Rot. Bonds2

About 4-N-(3-chlorophenyl)quinazoline-4,7-diamine

4-N-(3-chlorophenyl)quinazoline-4,7-diamine (PubChem CID 5328193) has the molecular formula C14H11ClN4 and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)quinazoline-4,7-diamine
PubChem CID5328193
Molecular FormulaC14H11ClN4
Molecular Weight270.72 g/mol
Exact Mass270.07
IUPAC Name4-N-(3-chlorophenyl)quinazoline-4,7-diamine
SMILESNc1ccc2c(Nc3cccc(Cl)c3)ncnc2c1
InChIInChI=1S/C14H11ClN4/c15-9-2-1-3-11(6-9)19-14-12-5-4-10(16)7-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)
InChIKeySHJIAUOHYKFYCU-UHFFFAOYSA-N
XLogP3.61
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-N-(3-chlorophenyl)quinazolin-4-amine
CID 1475054
4-N-(2,3-dichlorophenyl)quinazoline-4,7-diamine
CID 65337053
4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine
CID 65336921
6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979
6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 720635
N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine
CID 22460895
4-N-(3-bromo-4-fluorophenyl)quinazoline-4,7-diamine
CID 104775655
4-N-(4-fluoro-3-methylphenyl)quinazoline-4,7-diamine
CID 65336890
4-N-(3-prop-2-ynoxyphenyl)quinazoline-4,7-diamine
CID 169450976
N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine
CID 163979167
4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148233
N-(3-chlorophenyl)-6-ethylquinazolin-4-amine
CID 21002612

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)quinazoline-4,7-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)quinazoline-4,7-diamine (CID 5328193) is 4-N-(3-chlorophenyl)quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)quinazoline-4,7-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)quinazoline-4,7-diamine is Nc1ccc2c(Nc3cccc(Cl)c3)ncnc2c1.
What is the InChIKey of 4-N-(3-chlorophenyl)quinazoline-4,7-diamine?
The InChIKey is SHJIAUOHYKFYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4/c15-9-2-1-3-11(6-9)19-14-12-5-4-10(16)7-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19).
What are the key properties of 4-N-(3-chlorophenyl)quinazoline-4,7-diamine?
4-N-(3-chlorophenyl)quinazoline-4,7-diamine has a molecular weight of 270.72 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)quinazoline-4,7-diamine is sourced from PubChem (CID 5328193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).