6-methyl-N-(2-methylphenyl)-4-phenylquinazolin-2-amine

C22H19N3 — CID 782171

IUPAC6-methyl-N-(2-methylphenyl)-4-phenylquinazolin-2-amine
SMILESCc1ccc2nc(Nc3ccccc3C)nc(-c3ccccc3)c2c1
InChIInChI=1S/C22H19N3/c1-15-12-13-20-18(14-15)21(17-9-4-3-5-10-17)25-22(24-20)23-19-11-7-6-8-16(19)2/h3-14H,1-2H3,(H,23,24,25)
InChIKeyCTQDACGRMRPOQP-UHFFFAOYSA-N
MW325.42 g/mol
LogP5.66
Rot. Bonds3

About 6-methyl-N-(2-methylphenyl)-4-phenylquinazolin-2-amine

6-methyl-N-(2-methylphenyl)-4-phenylquinazolin-2-amine (PubChem CID 782171) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 6-methyl-N-(2-methylphenyl)-4-phenylquinazolin-2-amine.

Molecular Properties

Compound Name6-methyl-N-(2-methylphenyl)-4-phenylquinazolin-2-amine
PubChem CID782171
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name6-methyl-N-(2-methylphenyl)-4-phenylquinazolin-2-amine
SMILESCc1ccc2nc(Nc3ccccc3C)nc(-c3ccccc3)c2c1
InChIInChI=1S/C22H19N3/c1-15-12-13-20-18(14-15)21(17-9-4-3-5-10-17)25-22(24-20)23-19-11-7-6-8-16(19)2/h3-14H,1-2H3,(H,23,24,25)
InChIKeyCTQDACGRMRPOQP-UHFFFAOYSA-N
XLogP5.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methylphenyl)-4-phenylquinazolin-2-amine?
The IUPAC name of 6-methyl-N-(2-methylphenyl)-4-phenylquinazolin-2-amine (CID 782171) is 6-methyl-N-(2-methylphenyl)-4-phenylquinazolin-2-amine.
What is the SMILES notation for 6-methyl-N-(2-methylphenyl)-4-phenylquinazolin-2-amine?
The canonical SMILES for 6-methyl-N-(2-methylphenyl)-4-phenylquinazolin-2-amine is Cc1ccc2nc(Nc3ccccc3C)nc(-c3ccccc3)c2c1.
What is the InChIKey of 6-methyl-N-(2-methylphenyl)-4-phenylquinazolin-2-amine?
The InChIKey is CTQDACGRMRPOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c1-15-12-13-20-18(14-15)21(17-9-4-3-5-10-17)25-22(24-20)23-19-11-7-6-8-16(19)2/h3-14H,1-2H3,(H,23,24,25).
What are the key properties of 6-methyl-N-(2-methylphenyl)-4-phenylquinazolin-2-amine?
6-methyl-N-(2-methylphenyl)-4-phenylquinazolin-2-amine has a molecular weight of 325.42 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methylphenyl)-4-phenylquinazolin-2-amine is sourced from PubChem (CID 782171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).