2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile

C17H15ClN2 — CID 63512095

IUPAC2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile
SMILESCc1ccc2c(c1)CCCN2c1cccc(Cl)c1C#N
InChIInChI=1S/C17H15ClN2/c1-12-7-8-16-13(10-12)4-3-9-20(16)17-6-2-5-15(18)14(17)11-19/h2,5-8,10H,3-4,9H2,1H3
InChIKeyNYJAHCUEGSECGB-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.60
Rot. Bonds1

About 2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile

2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile (PubChem CID 63512095) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile.

Molecular Properties

Compound Name2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile
PubChem CID63512095
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile
SMILESCc1ccc2c(c1)CCCN2c1cccc(Cl)c1C#N
InChIInChI=1S/C17H15ClN2/c1-12-7-8-16-13(10-12)4-3-9-20(16)17-6-2-5-15(18)14(17)11-19/h2,5-8,10H,3-4,9H2,1H3
InChIKeyNYJAHCUEGSECGB-UHFFFAOYSA-N
XLogP4.60
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile?
The IUPAC name of 2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile (CID 63512095) is 2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile.
What is the SMILES notation for 2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile?
The canonical SMILES for 2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile is Cc1ccc2c(c1)CCCN2c1cccc(Cl)c1C#N.
What is the InChIKey of 2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile?
The InChIKey is NYJAHCUEGSECGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c1-12-7-8-16-13(10-12)4-3-9-20(16)17-6-2-5-15(18)14(17)11-19/h2,5-8,10H,3-4,9H2,1H3.
What are the key properties of 2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile?
2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile has a molecular weight of 282.77 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile is sourced from PubChem (CID 63512095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).