4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile

C18H18N2 — CID 63516991

IUPAC4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile
SMILESCc1ccc(C#N)c(N2c3ccccc3CCC2C)c1
InChIInChI=1S/C18H18N2/c1-13-7-9-16(12-19)18(11-13)20-14(2)8-10-15-5-3-4-6-17(15)20/h3-7,9,11,14H,8,10H2,1-2H3
InChIKeyHNAHEVVVQBZBOV-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.34
Rot. Bonds1

About 4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile

4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile (PubChem CID 63516991) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile.

Molecular Properties

Compound Name4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile
PubChem CID63516991
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile
SMILESCc1ccc(C#N)c(N2c3ccccc3CCC2C)c1
InChIInChI=1S/C18H18N2/c1-13-7-9-16(12-19)18(11-13)20-14(2)8-10-15-5-3-4-6-17(15)20/h3-7,9,11,14H,8,10H2,1-2H3
InChIKeyHNAHEVVVQBZBOV-UHFFFAOYSA-N
XLogP4.34
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile?
The IUPAC name of 4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile (CID 63516991) is 4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile.
What is the SMILES notation for 4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile?
The canonical SMILES for 4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile is Cc1ccc(C#N)c(N2c3ccccc3CCC2C)c1.
What is the InChIKey of 4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile?
The InChIKey is HNAHEVVVQBZBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-13-7-9-16(12-19)18(11-13)20-14(2)8-10-15-5-3-4-6-17(15)20/h3-7,9,11,14H,8,10H2,1-2H3.
What are the key properties of 4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile?
4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile has a molecular weight of 262.36 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile is sourced from PubChem (CID 63516991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).