4-(4-ethylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline

C22H19N3 — CID 67701288

IUPAC4-(4-ethylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline
SMILESCCc1ccc(-c2nc(-c3cccc(C)n3)nc3ccccc23)cc1
InChIInChI=1S/C22H19N3/c1-3-16-11-13-17(14-12-16)21-18-8-4-5-9-19(18)24-22(25-21)20-10-6-7-15(2)23-20/h4-14H,3H2,1-2H3
InChIKeyLGPZBSPXEAQQFZ-UHFFFAOYSA-N
MW325.42 g/mol
LogP5.23
Rot. Bonds3

About 4-(4-ethylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline

4-(4-ethylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline (PubChem CID 67701288) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline.

Molecular Properties

Compound Name4-(4-ethylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline
PubChem CID67701288
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name4-(4-ethylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline
SMILESCCc1ccc(-c2nc(-c3cccc(C)n3)nc3ccccc23)cc1
InChIInChI=1S/C22H19N3/c1-3-16-11-13-17(14-12-16)21-18-8-4-5-9-19(18)24-22(25-21)20-10-6-7-15(2)23-20/h4-14H,3H2,1-2H3
InChIKeyLGPZBSPXEAQQFZ-UHFFFAOYSA-N
XLogP5.23
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline?
The IUPAC name of 4-(4-ethylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline (CID 67701288) is 4-(4-ethylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline.
What is the SMILES notation for 4-(4-ethylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline?
The canonical SMILES for 4-(4-ethylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline is CCc1ccc(-c2nc(-c3cccc(C)n3)nc3ccccc23)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline?
The InChIKey is LGPZBSPXEAQQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c1-3-16-11-13-17(14-12-16)21-18-8-4-5-9-19(18)24-22(25-21)20-10-6-7-15(2)23-20/h4-14H,3H2,1-2H3.
What are the key properties of 4-(4-ethylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline?
4-(4-ethylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline has a molecular weight of 325.42 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline is sourced from PubChem (CID 67701288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).