N-(1,2-diphenylethyl)quinazolin-4-amine

C22H19N3 — CID 67604516

IUPACN-(1,2-diphenylethyl)quinazolin-4-amine
SMILESc1ccc(CC(Nc2ncnc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C22H19N3/c1-3-9-17(10-4-1)15-21(18-11-5-2-6-12-18)25-22-19-13-7-8-14-20(19)23-16-24-22/h1-14,16,21H,15H2,(H,23,24,25)
InChIKeyRCOZHEIYIWJZLH-UHFFFAOYSA-N
MW325.42 g/mol
LogP5.03
Rot. Bonds5

About N-(1,2-diphenylethyl)quinazolin-4-amine

N-(1,2-diphenylethyl)quinazolin-4-amine (PubChem CID 67604516) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)quinazolin-4-amine
PubChem CID67604516
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC NameN-(1,2-diphenylethyl)quinazolin-4-amine
SMILESc1ccc(CC(Nc2ncnc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C22H19N3/c1-3-9-17(10-4-1)15-21(18-11-5-2-6-12-18)25-22-19-13-7-8-14-20(19)23-16-24-22/h1-14,16,21H,15H2,(H,23,24,25)
InChIKeyRCOZHEIYIWJZLH-UHFFFAOYSA-N
XLogP5.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)quinazolin-4-amine?
The IUPAC name of N-(1,2-diphenylethyl)quinazolin-4-amine (CID 67604516) is N-(1,2-diphenylethyl)quinazolin-4-amine.
What is the SMILES notation for N-(1,2-diphenylethyl)quinazolin-4-amine?
The canonical SMILES for N-(1,2-diphenylethyl)quinazolin-4-amine is c1ccc(CC(Nc2ncnc3ccccc23)c2ccccc2)cc1.
What is the InChIKey of N-(1,2-diphenylethyl)quinazolin-4-amine?
The InChIKey is RCOZHEIYIWJZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c1-3-9-17(10-4-1)15-21(18-11-5-2-6-12-18)25-22-19-13-7-8-14-20(19)23-16-24-22/h1-14,16,21H,15H2,(H,23,24,25).
What are the key properties of N-(1,2-diphenylethyl)quinazolin-4-amine?
N-(1,2-diphenylethyl)quinazolin-4-amine has a molecular weight of 325.42 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)quinazolin-4-amine is sourced from PubChem (CID 67604516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).