8-methyl-2-(6-methyl-2-pyridinyl)-4-phenylquinazoline

C21H17N3 — CID 67701313

IUPAC8-methyl-2-(6-methyl-2-pyridinyl)-4-phenylquinazoline
SMILESCc1cccc(-c2nc(-c3ccccc3)c3cccc(C)c3n2)n1
InChIInChI=1S/C21H17N3/c1-14-8-6-12-17-19(14)23-21(18-13-7-9-15(2)22-18)24-20(17)16-10-4-3-5-11-16/h3-13H,1-2H3
InChIKeyTZXYQDHZWRBJIP-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.98
Rot. Bonds2

About 8-methyl-2-(6-methyl-2-pyridinyl)-4-phenylquinazoline

8-methyl-2-(6-methyl-2-pyridinyl)-4-phenylquinazoline (PubChem CID 67701313) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 8-methyl-2-(6-methyl-2-pyridinyl)-4-phenylquinazoline.

Molecular Properties

Compound Name8-methyl-2-(6-methyl-2-pyridinyl)-4-phenylquinazoline
PubChem CID67701313
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC Name8-methyl-2-(6-methyl-2-pyridinyl)-4-phenylquinazoline
SMILESCc1cccc(-c2nc(-c3ccccc3)c3cccc(C)c3n2)n1
InChIInChI=1S/C21H17N3/c1-14-8-6-12-17-19(14)23-21(18-13-7-9-15(2)22-18)24-20(17)16-10-4-3-5-11-16/h3-13H,1-2H3
InChIKeyTZXYQDHZWRBJIP-UHFFFAOYSA-N
XLogP4.98
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(6-methyl-2-pyridinyl)-4-phenylquinazoline?
The IUPAC name of 8-methyl-2-(6-methyl-2-pyridinyl)-4-phenylquinazoline (CID 67701313) is 8-methyl-2-(6-methyl-2-pyridinyl)-4-phenylquinazoline.
What is the SMILES notation for 8-methyl-2-(6-methyl-2-pyridinyl)-4-phenylquinazoline?
The canonical SMILES for 8-methyl-2-(6-methyl-2-pyridinyl)-4-phenylquinazoline is Cc1cccc(-c2nc(-c3ccccc3)c3cccc(C)c3n2)n1.
What is the InChIKey of 8-methyl-2-(6-methyl-2-pyridinyl)-4-phenylquinazoline?
The InChIKey is TZXYQDHZWRBJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3/c1-14-8-6-12-17-19(14)23-21(18-13-7-9-15(2)22-18)24-20(17)16-10-4-3-5-11-16/h3-13H,1-2H3.
What are the key properties of 8-methyl-2-(6-methyl-2-pyridinyl)-4-phenylquinazoline?
8-methyl-2-(6-methyl-2-pyridinyl)-4-phenylquinazoline has a molecular weight of 311.39 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(6-methyl-2-pyridinyl)-4-phenylquinazoline is sourced from PubChem (CID 67701313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).