N-benzyl-2-phenylquinazolin-4-amine

C21H17N3 — CID 780643

IUPACN-benzyl-2-phenylquinazolin-4-amine
SMILESc1ccc(CNc2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C21H17N3/c1-3-9-16(10-4-1)15-22-21-18-13-7-8-14-19(18)23-20(24-21)17-11-5-2-6-12-17/h1-14H,15H2,(H,22,23,24)
InChIKeyWXCHSHPXEPXKFN-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.91
Rot. Bonds4

About N-benzyl-2-phenylquinazolin-4-amine

N-benzyl-2-phenylquinazolin-4-amine (PubChem CID 780643) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-benzyl-2-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-phenylquinazolin-4-amine
PubChem CID780643
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC NameN-benzyl-2-phenylquinazolin-4-amine
SMILESc1ccc(CNc2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C21H17N3/c1-3-9-16(10-4-1)15-22-21-18-13-7-8-14-19(18)23-20(24-21)17-11-5-2-6-12-17/h1-14H,15H2,(H,22,23,24)
InChIKeyWXCHSHPXEPXKFN-UHFFFAOYSA-N
XLogP4.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-phenylquinazolin-4-amine?
The IUPAC name of N-benzyl-2-phenylquinazolin-4-amine (CID 780643) is N-benzyl-2-phenylquinazolin-4-amine.
What is the SMILES notation for N-benzyl-2-phenylquinazolin-4-amine?
The canonical SMILES for N-benzyl-2-phenylquinazolin-4-amine is c1ccc(CNc2nc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of N-benzyl-2-phenylquinazolin-4-amine?
The InChIKey is WXCHSHPXEPXKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3/c1-3-9-16(10-4-1)15-22-21-18-13-7-8-14-19(18)23-20(24-21)17-11-5-2-6-12-17/h1-14H,15H2,(H,22,23,24).
What are the key properties of N-benzyl-2-phenylquinazolin-4-amine?
N-benzyl-2-phenylquinazolin-4-amine has a molecular weight of 311.39 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-phenylquinazolin-4-amine is sourced from PubChem (CID 780643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).