N-methyl-N,2-diphenylquinazolin-4-amine

C21H17N3 — CID 10358104

IUPACN-methyl-N,2-diphenylquinazolin-4-amine
SMILESCN(c1ccccc1)c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H17N3/c1-24(17-12-6-3-7-13-17)21-18-14-8-9-15-19(18)22-20(23-21)16-10-4-2-5-11-16/h2-15H,1H3
InChIKeyYKNPNQJIOWPXNY-UHFFFAOYSA-N
MW311.39 g/mol
LogP5.06
Rot. Bonds3

About N-methyl-N,2-diphenylquinazolin-4-amine

N-methyl-N,2-diphenylquinazolin-4-amine (PubChem CID 10358104) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-methyl-N,2-diphenylquinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-N,2-diphenylquinazolin-4-amine
PubChem CID10358104
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC NameN-methyl-N,2-diphenylquinazolin-4-amine
SMILESCN(c1ccccc1)c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H17N3/c1-24(17-12-6-3-7-13-17)21-18-14-8-9-15-19(18)22-20(23-21)16-10-4-2-5-11-16/h2-15H,1H3
InChIKeyYKNPNQJIOWPXNY-UHFFFAOYSA-N
XLogP5.06
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.39
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N,2-diphenylquinazolin-4-amine?
The IUPAC name of N-methyl-N,2-diphenylquinazolin-4-amine (CID 10358104) is N-methyl-N,2-diphenylquinazolin-4-amine.
What is the SMILES notation for N-methyl-N,2-diphenylquinazolin-4-amine?
The canonical SMILES for N-methyl-N,2-diphenylquinazolin-4-amine is CN(c1ccccc1)c1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-methyl-N,2-diphenylquinazolin-4-amine?
The InChIKey is YKNPNQJIOWPXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3/c1-24(17-12-6-3-7-13-17)21-18-14-8-9-15-19(18)22-20(23-21)16-10-4-2-5-11-16/h2-15H,1H3.
What are the key properties of N-methyl-N,2-diphenylquinazolin-4-amine?
N-methyl-N,2-diphenylquinazolin-4-amine has a molecular weight of 311.39 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,2-diphenylquinazolin-4-amine is sourced from PubChem (CID 10358104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).