2-(4-ethylphenyl)quinazoline-6-carbonitrile

C17H13N3 — CID 10945150

IUPAC2-(4-ethylphenyl)quinazoline-6-carbonitrile
SMILESCCc1ccc(-c2ncc3cc(C#N)ccc3n2)cc1
InChIInChI=1S/C17H13N3/c1-2-12-3-6-14(7-4-12)17-19-11-15-9-13(10-18)5-8-16(15)20-17/h3-9,11H,2H2,1H3
InChIKeyMHJOACWXLHKRIC-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.73
Rot. Bonds2

About 2-(4-ethylphenyl)quinazoline-6-carbonitrile

2-(4-ethylphenyl)quinazoline-6-carbonitrile (PubChem CID 10945150) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(4-ethylphenyl)quinazoline-6-carbonitrile.

Molecular Properties

Compound Name2-(4-ethylphenyl)quinazoline-6-carbonitrile
PubChem CID10945150
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name2-(4-ethylphenyl)quinazoline-6-carbonitrile
SMILESCCc1ccc(-c2ncc3cc(C#N)ccc3n2)cc1
InChIInChI=1S/C17H13N3/c1-2-12-3-6-14(7-4-12)17-19-11-15-9-13(10-18)5-8-16(15)20-17/h3-9,11H,2H2,1H3
InChIKeyMHJOACWXLHKRIC-UHFFFAOYSA-N
XLogP3.73
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)quinazoline-6-carbonitrile?
The IUPAC name of 2-(4-ethylphenyl)quinazoline-6-carbonitrile (CID 10945150) is 2-(4-ethylphenyl)quinazoline-6-carbonitrile.
What is the SMILES notation for 2-(4-ethylphenyl)quinazoline-6-carbonitrile?
The canonical SMILES for 2-(4-ethylphenyl)quinazoline-6-carbonitrile is CCc1ccc(-c2ncc3cc(C#N)ccc3n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)quinazoline-6-carbonitrile?
The InChIKey is MHJOACWXLHKRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c1-2-12-3-6-14(7-4-12)17-19-11-15-9-13(10-18)5-8-16(15)20-17/h3-9,11H,2H2,1H3.
What are the key properties of 2-(4-ethylphenyl)quinazoline-6-carbonitrile?
2-(4-ethylphenyl)quinazoline-6-carbonitrile has a molecular weight of 259.31 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)quinazoline-6-carbonitrile is sourced from PubChem (CID 10945150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).