2-(3-chloro-5-methylphenyl)quinazolin-4-amine

C15H12ClN3 — CID 81324898

IUPAC2-(3-chloro-5-methylphenyl)quinazolin-4-amine
SMILESCc1cc(Cl)cc(-c2nc(N)c3ccccc3n2)c1
InChIInChI=1S/C15H12ClN3/c1-9-6-10(8-11(16)7-9)15-18-13-5-3-2-4-12(13)14(17)19-15/h2-8H,1H3,(H2,17,18,19)
InChIKeyPIWJBOIVZDEEAM-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.84
Rot. Bonds1

About 2-(3-chloro-5-methylphenyl)quinazolin-4-amine

2-(3-chloro-5-methylphenyl)quinazolin-4-amine (PubChem CID 81324898) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 2-(3-chloro-5-methylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-5-methylphenyl)quinazolin-4-amine
PubChem CID81324898
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name2-(3-chloro-5-methylphenyl)quinazolin-4-amine
SMILESCc1cc(Cl)cc(-c2nc(N)c3ccccc3n2)c1
InChIInChI=1S/C15H12ClN3/c1-9-6-10(8-11(16)7-9)15-18-13-5-3-2-4-12(13)14(17)19-15/h2-8H,1H3,(H2,17,18,19)
InChIKeyPIWJBOIVZDEEAM-UHFFFAOYSA-N
XLogP3.84
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-methylphenyl)quinazolin-4-amine?
The IUPAC name of 2-(3-chloro-5-methylphenyl)quinazolin-4-amine (CID 81324898) is 2-(3-chloro-5-methylphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-(3-chloro-5-methylphenyl)quinazolin-4-amine?
The canonical SMILES for 2-(3-chloro-5-methylphenyl)quinazolin-4-amine is Cc1cc(Cl)cc(-c2nc(N)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-chloro-5-methylphenyl)quinazolin-4-amine?
The InChIKey is PIWJBOIVZDEEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c1-9-6-10(8-11(16)7-9)15-18-13-5-3-2-4-12(13)14(17)19-15/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 2-(3-chloro-5-methylphenyl)quinazolin-4-amine?
2-(3-chloro-5-methylphenyl)quinazolin-4-amine has a molecular weight of 269.74 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-methylphenyl)quinazolin-4-amine is sourced from PubChem (CID 81324898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).