3-benzyl-4-phenyl-4H-quinazolin-2-amine

C21H19N3 — CID 12628948

IUPAC3-benzyl-4-phenyl-4H-quinazolin-2-amine
SMILESNC1=Nc2ccccc2C(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C21H19N3/c22-21-23-19-14-8-7-13-18(19)20(17-11-5-2-6-12-17)24(21)15-16-9-3-1-4-10-16/h1-14,20H,15H2,(H2,22,23)
InChIKeyNGBFWEGSMYNFNK-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.24
Rot. Bonds3

About 3-benzyl-4-phenyl-4H-quinazolin-2-amine

3-benzyl-4-phenyl-4H-quinazolin-2-amine (PubChem CID 12628948) has the molecular formula C21H19N3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-benzyl-4-phenyl-4H-quinazolin-2-amine.

Molecular Properties

Compound Name3-benzyl-4-phenyl-4H-quinazolin-2-amine
PubChem CID12628948
Molecular FormulaC21H19N3
Molecular Weight313.40 g/mol
Exact Mass313.16
IUPAC Name3-benzyl-4-phenyl-4H-quinazolin-2-amine
SMILESNC1=Nc2ccccc2C(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C21H19N3/c22-21-23-19-14-8-7-13-18(19)20(17-11-5-2-6-12-17)24(21)15-16-9-3-1-4-10-16/h1-14,20H,15H2,(H2,22,23)
InChIKeyNGBFWEGSMYNFNK-UHFFFAOYSA-N
XLogP4.24
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-phenyl-4H-quinazolin-2-amine?
The IUPAC name of 3-benzyl-4-phenyl-4H-quinazolin-2-amine (CID 12628948) is 3-benzyl-4-phenyl-4H-quinazolin-2-amine.
What is the SMILES notation for 3-benzyl-4-phenyl-4H-quinazolin-2-amine?
The canonical SMILES for 3-benzyl-4-phenyl-4H-quinazolin-2-amine is NC1=Nc2ccccc2C(c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-phenyl-4H-quinazolin-2-amine?
The InChIKey is NGBFWEGSMYNFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3/c22-21-23-19-14-8-7-13-18(19)20(17-11-5-2-6-12-17)24(21)15-16-9-3-1-4-10-16/h1-14,20H,15H2,(H2,22,23).
What are the key properties of 3-benzyl-4-phenyl-4H-quinazolin-2-amine?
3-benzyl-4-phenyl-4H-quinazolin-2-amine has a molecular weight of 313.40 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-phenyl-4H-quinazolin-2-amine is sourced from PubChem (CID 12628948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).