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

C22H19N3 — CID 5051334

IUPAC2-phenyl-N-(1-phenylethyl)quinazolin-4-amine
SMILESCC(Nc1nc(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C22H19N3/c1-16(17-10-4-2-5-11-17)23-22-19-14-8-9-15-20(19)24-21(25-22)18-12-6-3-7-13-18/h2-16H,1H3,(H,23,24,25)
InChIKeyAEXWSMVZORVWML-UHFFFAOYSA-N
MW325.42 g/mol
LogP5.47
Rot. Bonds4

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

2-phenyl-N-(1-phenylethyl)quinazolin-4-amine (PubChem CID 5051334) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-phenyl-N-(1-phenylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-phenyl-N-(1-phenylethyl)quinazolin-4-amine
PubChem CID5051334
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name2-phenyl-N-(1-phenylethyl)quinazolin-4-amine
SMILESCC(Nc1nc(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C22H19N3/c1-16(17-10-4-2-5-11-17)23-22-19-14-8-9-15-20(19)24-21(25-22)18-12-6-3-7-13-18/h2-16H,1H3,(H,23,24,25)
InChIKeyAEXWSMVZORVWML-UHFFFAOYSA-N
XLogP5.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(1-phenylethyl)quinazolin-4-amine?
The IUPAC name of 2-phenyl-N-(1-phenylethyl)quinazolin-4-amine (CID 5051334) is 2-phenyl-N-(1-phenylethyl)quinazolin-4-amine.
What is the SMILES notation for 2-phenyl-N-(1-phenylethyl)quinazolin-4-amine?
The canonical SMILES for 2-phenyl-N-(1-phenylethyl)quinazolin-4-amine is CC(Nc1nc(-c2ccccc2)nc2ccccc12)c1ccccc1.
What is the InChIKey of 2-phenyl-N-(1-phenylethyl)quinazolin-4-amine?
The InChIKey is AEXWSMVZORVWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c1-16(17-10-4-2-5-11-17)23-22-19-14-8-9-15-20(19)24-21(25-22)18-12-6-3-7-13-18/h2-16H,1H3,(H,23,24,25).
What are the key properties of 2-phenyl-N-(1-phenylethyl)quinazolin-4-amine?
2-phenyl-N-(1-phenylethyl)quinazolin-4-amine has a molecular weight of 325.42 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(1-phenylethyl)quinazolin-4-amine is sourced from PubChem (CID 5051334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).