2-(3-methylquinolin-6-yl)butanenitrile

C14H14N2 — CID 116997842

IUPAC2-(3-methylquinolin-6-yl)butanenitrile
SMILESCCC(C#N)c1ccc2ncc(C)cc2c1
InChIInChI=1S/C14H14N2/c1-3-11(8-15)12-4-5-14-13(7-12)6-10(2)9-16-14/h4-7,9,11H,3H2,1-2H3
InChIKeyFFNYYRVNBRYJNF-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.56
Rot. Bonds2

About 2-(3-methylquinolin-6-yl)butanenitrile

2-(3-methylquinolin-6-yl)butanenitrile (PubChem CID 116997842) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(3-methylquinolin-6-yl)butanenitrile.

Molecular Properties

Compound Name2-(3-methylquinolin-6-yl)butanenitrile
PubChem CID116997842
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name2-(3-methylquinolin-6-yl)butanenitrile
SMILESCCC(C#N)c1ccc2ncc(C)cc2c1
InChIInChI=1S/C14H14N2/c1-3-11(8-15)12-4-5-14-13(7-12)6-10(2)9-16-14/h4-7,9,11H,3H2,1-2H3
InChIKeyFFNYYRVNBRYJNF-UHFFFAOYSA-N
XLogP3.56
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[(3-methylquinolin-6-yl)methyl]butanenitrile
CID 116997500
2-(3H-benzimidazol-5-yl)butanenitrile
CID 116964577
2-(2-amino-1,3-benzothiazol-6-yl)butanenitrile
CID 116994176
methyl 3-methyl-2-(3-methylquinolin-6-yl)butanoate
CID 116997841
1-[(3-methylquinolin-6-yl)methyl]cyclobutane-1-carbonitrile
CID 116997480
1-(3-methylquinolin-6-yl)propan-2-amine
CID 83880771
6-(2-chloroethyl)-3-methylquinoline
CID 116997430
4-(3-methylquinolin-6-yl)butan-2-amine
CID 116997396
N-ethyl-2-(3-methylquinolin-6-yl)ethanamine
CID 116997407
2-methyl-4-(3-methylquinolin-6-yl)butan-2-ol
CID 177184332
2-(4-bromophenyl)butanenitrile;ethane
CID 91449921
3-methylquinoline;pentane
CID 145470784

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylquinolin-6-yl)butanenitrile?
The IUPAC name of 2-(3-methylquinolin-6-yl)butanenitrile (CID 116997842) is 2-(3-methylquinolin-6-yl)butanenitrile.
What is the SMILES notation for 2-(3-methylquinolin-6-yl)butanenitrile?
The canonical SMILES for 2-(3-methylquinolin-6-yl)butanenitrile is CCC(C#N)c1ccc2ncc(C)cc2c1.
What is the InChIKey of 2-(3-methylquinolin-6-yl)butanenitrile?
The InChIKey is FFNYYRVNBRYJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-3-11(8-15)12-4-5-14-13(7-12)6-10(2)9-16-14/h4-7,9,11H,3H2,1-2H3.
What are the key properties of 2-(3-methylquinolin-6-yl)butanenitrile?
2-(3-methylquinolin-6-yl)butanenitrile has a molecular weight of 210.28 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylquinolin-6-yl)butanenitrile is sourced from PubChem (CID 116997842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).