2-(4-methylphenyl)-N-(1-phenylethyl)quinazolin-4-amine

C23H21N3 — CID 2790952

IUPAC2-(4-methylphenyl)-N-(1-phenylethyl)quinazolin-4-amine
SMILESCc1ccc(-c2nc(NC(C)c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C23H21N3/c1-16-12-14-19(15-13-16)22-25-21-11-7-6-10-20(21)23(26-22)24-17(2)18-8-4-3-5-9-18/h3-15,17H,1-2H3,(H,24,25,26)
InChIKeyJNZDOGLESVHXBU-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.78
Rot. Bonds4

About 2-(4-methylphenyl)-N-(1-phenylethyl)quinazolin-4-amine

2-(4-methylphenyl)-N-(1-phenylethyl)quinazolin-4-amine (PubChem CID 2790952) has the molecular formula C23H21N3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(1-phenylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(1-phenylethyl)quinazolin-4-amine
PubChem CID2790952
Molecular FormulaC23H21N3
Molecular Weight339.44 g/mol
Exact Mass339.17
IUPAC Name2-(4-methylphenyl)-N-(1-phenylethyl)quinazolin-4-amine
SMILESCc1ccc(-c2nc(NC(C)c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C23H21N3/c1-16-12-14-19(15-13-16)22-25-21-11-7-6-10-20(21)23(26-22)24-17(2)18-8-4-3-5-9-18/h3-15,17H,1-2H3,(H,24,25,26)
InChIKeyJNZDOGLESVHXBU-UHFFFAOYSA-N
XLogP5.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(1-phenylethyl)quinazolin-4-amine?
The IUPAC name of 2-(4-methylphenyl)-N-(1-phenylethyl)quinazolin-4-amine (CID 2790952) is 2-(4-methylphenyl)-N-(1-phenylethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(4-methylphenyl)-N-(1-phenylethyl)quinazolin-4-amine?
The canonical SMILES for 2-(4-methylphenyl)-N-(1-phenylethyl)quinazolin-4-amine is Cc1ccc(-c2nc(NC(C)c3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(1-phenylethyl)quinazolin-4-amine?
The InChIKey is JNZDOGLESVHXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3/c1-16-12-14-19(15-13-16)22-25-21-11-7-6-10-20(21)23(26-22)24-17(2)18-8-4-3-5-9-18/h3-15,17H,1-2H3,(H,24,25,26).
What are the key properties of 2-(4-methylphenyl)-N-(1-phenylethyl)quinazolin-4-amine?
2-(4-methylphenyl)-N-(1-phenylethyl)quinazolin-4-amine has a molecular weight of 339.44 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(1-phenylethyl)quinazolin-4-amine is sourced from PubChem (CID 2790952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).