2-(4-amino-2-chlorophenyl)quinazolin-4-amine

C14H11ClN4 — CID 89358180

IUPAC2-(4-amino-2-chlorophenyl)quinazolin-4-amine
SMILESNc1ccc(-c2nc(N)c3ccccc3n2)c(Cl)c1
InChIInChI=1S/C14H11ClN4/c15-11-7-8(16)5-6-9(11)14-18-12-4-2-1-3-10(12)13(17)19-14/h1-7H,16H2,(H2,17,18,19)
InChIKeyVSUWTQZMKHUOFC-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.11
Rot. Bonds1

About 2-(4-amino-2-chlorophenyl)quinazolin-4-amine

2-(4-amino-2-chlorophenyl)quinazolin-4-amine (PubChem CID 89358180) has the molecular formula C14H11ClN4 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-(4-amino-2-chlorophenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-amino-2-chlorophenyl)quinazolin-4-amine
PubChem CID89358180
Molecular FormulaC14H11ClN4
Molecular Weight270.72 g/mol
Exact Mass270.07
IUPAC Name2-(4-amino-2-chlorophenyl)quinazolin-4-amine
SMILESNc1ccc(-c2nc(N)c3ccccc3n2)c(Cl)c1
InChIInChI=1S/C14H11ClN4/c15-11-7-8(16)5-6-9(11)14-18-12-4-2-1-3-10(12)13(17)19-14/h1-7H,16H2,(H2,17,18,19)
InChIKeyVSUWTQZMKHUOFC-UHFFFAOYSA-N
XLogP3.11
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.11
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

2-(2-chloro-4-methylphenyl)quinazolin-4-amine
CID 106863649
2-(4-bromo-2-chlorophenyl)quinazolin-4-amine
CID 62175155
2-(2-chloro-4-methylphenyl)-6-methylquinazolin-4-amine
CID 106864165
6-bromo-2-(2-chlorophenyl)quinazolin-4-amine
CID 64983536
2-(2-chlorophenyl)-7-fluoroquinazolin-4-amine
CID 64983741
4-chloro-2-(2-chloro-4-methylphenyl)quinazoline
CID 106860906
2-(4,6-dimethylpyrimidin-2-yl)quinazolin-4-amine
CID 10610759
2-pyrimidin-2-ylquinazolin-4-amine
CID 173199293
2-(3-chloro-5-methylphenyl)quinazolin-4-amine
CID 81324898
3-chloro-4-phenylaniline;hydrochloride
CID 91622859
2-[(5-amino-2-chlorophenyl)sulfanylmethyl]quinazolin-4-amine
CID 79128586
3-chloro-4-(4-phenylphenyl)aniline
CID 107615840

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-chlorophenyl)quinazolin-4-amine?
The IUPAC name of 2-(4-amino-2-chlorophenyl)quinazolin-4-amine (CID 89358180) is 2-(4-amino-2-chlorophenyl)quinazolin-4-amine.
What is the SMILES notation for 2-(4-amino-2-chlorophenyl)quinazolin-4-amine?
The canonical SMILES for 2-(4-amino-2-chlorophenyl)quinazolin-4-amine is Nc1ccc(-c2nc(N)c3ccccc3n2)c(Cl)c1.
What is the InChIKey of 2-(4-amino-2-chlorophenyl)quinazolin-4-amine?
The InChIKey is VSUWTQZMKHUOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4/c15-11-7-8(16)5-6-9(11)14-18-12-4-2-1-3-10(12)13(17)19-14/h1-7H,16H2,(H2,17,18,19).
What are the key properties of 2-(4-amino-2-chlorophenyl)quinazolin-4-amine?
2-(4-amino-2-chlorophenyl)quinazolin-4-amine has a molecular weight of 270.72 g/mol, XLogP of 3.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-chlorophenyl)quinazolin-4-amine is sourced from PubChem (CID 89358180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).