2-(4-methylphenyl)-2-(2-methylquinolin-4-yl)acetonitrile

C19H16N2 — CID 18802151

IUPAC2-(4-methylphenyl)-2-(2-methylquinolin-4-yl)acetonitrile
SMILESCc1ccc(C(C#N)c2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C19H16N2/c1-13-7-9-15(10-8-13)18(12-20)17-11-14(2)21-19-6-4-3-5-16(17)19/h3-11,18H,1-2H3
InChIKeyPXEBYUDCJTZCCG-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.51
Rot. Bonds2

About 2-(4-methylphenyl)-2-(2-methylquinolin-4-yl)acetonitrile

2-(4-methylphenyl)-2-(2-methylquinolin-4-yl)acetonitrile (PubChem CID 18802151) has the molecular formula C19H16N2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2-(2-methylquinolin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-methylphenyl)-2-(2-methylquinolin-4-yl)acetonitrile
PubChem CID18802151
Molecular FormulaC19H16N2
Molecular Weight272.35 g/mol
Exact Mass272.13
IUPAC Name2-(4-methylphenyl)-2-(2-methylquinolin-4-yl)acetonitrile
SMILESCc1ccc(C(C#N)c2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C19H16N2/c1-13-7-9-15(10-8-13)18(12-20)17-11-14(2)21-19-6-4-3-5-16(17)19/h3-11,18H,1-2H3
InChIKeyPXEBYUDCJTZCCG-UHFFFAOYSA-N
XLogP4.51
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2-(2-methylquinolin-4-yl)acetonitrile?
The IUPAC name of 2-(4-methylphenyl)-2-(2-methylquinolin-4-yl)acetonitrile (CID 18802151) is 2-(4-methylphenyl)-2-(2-methylquinolin-4-yl)acetonitrile.
What is the SMILES notation for 2-(4-methylphenyl)-2-(2-methylquinolin-4-yl)acetonitrile?
The canonical SMILES for 2-(4-methylphenyl)-2-(2-methylquinolin-4-yl)acetonitrile is Cc1ccc(C(C#N)c2cc(C)nc3ccccc23)cc1.
What is the InChIKey of 2-(4-methylphenyl)-2-(2-methylquinolin-4-yl)acetonitrile?
The InChIKey is PXEBYUDCJTZCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2/c1-13-7-9-15(10-8-13)18(12-20)17-11-14(2)21-19-6-4-3-5-16(17)19/h3-11,18H,1-2H3.
What are the key properties of 2-(4-methylphenyl)-2-(2-methylquinolin-4-yl)acetonitrile?
2-(4-methylphenyl)-2-(2-methylquinolin-4-yl)acetonitrile has a molecular weight of 272.35 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-2-(2-methylquinolin-4-yl)acetonitrile is sourced from PubChem (CID 18802151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).