2-(6-benzyl-5-methyl-2-pyridinyl)quinazoline

C21H17N3 — CID 68786458

IUPAC2-(6-benzyl-5-methyl-2-pyridinyl)quinazoline
SMILESCc1ccc(-c2ncc3ccccc3n2)nc1Cc1ccccc1
InChIInChI=1S/C21H17N3/c1-15-11-12-19(23-20(15)13-16-7-3-2-4-8-16)21-22-14-17-9-5-6-10-18(17)24-21/h2-12,14H,13H2,1H3
InChIKeyKQDLWZYPSDTKQB-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.59
Rot. Bonds3

About 2-(6-benzyl-5-methyl-2-pyridinyl)quinazoline

2-(6-benzyl-5-methyl-2-pyridinyl)quinazoline (PubChem CID 68786458) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(6-benzyl-5-methyl-2-pyridinyl)quinazoline.

Molecular Properties

Compound Name2-(6-benzyl-5-methyl-2-pyridinyl)quinazoline
PubChem CID68786458
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC Name2-(6-benzyl-5-methyl-2-pyridinyl)quinazoline
SMILESCc1ccc(-c2ncc3ccccc3n2)nc1Cc1ccccc1
InChIInChI=1S/C21H17N3/c1-15-11-12-19(23-20(15)13-16-7-3-2-4-8-16)21-22-14-17-9-5-6-10-18(17)24-21/h2-12,14H,13H2,1H3
InChIKeyKQDLWZYPSDTKQB-UHFFFAOYSA-N
XLogP4.59
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-benzyl-5-methyl-2-pyridinyl)quinazoline?
The IUPAC name of 2-(6-benzyl-5-methyl-2-pyridinyl)quinazoline (CID 68786458) is 2-(6-benzyl-5-methyl-2-pyridinyl)quinazoline.
What is the SMILES notation for 2-(6-benzyl-5-methyl-2-pyridinyl)quinazoline?
The canonical SMILES for 2-(6-benzyl-5-methyl-2-pyridinyl)quinazoline is Cc1ccc(-c2ncc3ccccc3n2)nc1Cc1ccccc1.
What is the InChIKey of 2-(6-benzyl-5-methyl-2-pyridinyl)quinazoline?
The InChIKey is KQDLWZYPSDTKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3/c1-15-11-12-19(23-20(15)13-16-7-3-2-4-8-16)21-22-14-17-9-5-6-10-18(17)24-21/h2-12,14H,13H2,1H3.
What are the key properties of 2-(6-benzyl-5-methyl-2-pyridinyl)quinazoline?
2-(6-benzyl-5-methyl-2-pyridinyl)quinazoline has a molecular weight of 311.39 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzyl-5-methyl-2-pyridinyl)quinazoline is sourced from PubChem (CID 68786458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).