1-[(3-methylquinolin-6-yl)methyl]cyclobutane-1-carbonitrile

C16H16N2 — CID 116997480

IUPAC1-[(3-methylquinolin-6-yl)methyl]cyclobutane-1-carbonitrile
SMILESCc1cnc2ccc(CC3(C#N)CCC3)cc2c1
InChIInChI=1S/C16H16N2/c1-12-7-14-8-13(3-4-15(14)18-10-12)9-16(11-17)5-2-6-16/h3-4,7-8,10H,2,5-6,9H2,1H3
InChIKeyYFNNGZPGNIGTSG-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.78
Rot. Bonds2

About 1-[(3-methylquinolin-6-yl)methyl]cyclobutane-1-carbonitrile

1-[(3-methylquinolin-6-yl)methyl]cyclobutane-1-carbonitrile (PubChem CID 116997480) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[(3-methylquinolin-6-yl)methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[(3-methylquinolin-6-yl)methyl]cyclobutane-1-carbonitrile
PubChem CID116997480
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name1-[(3-methylquinolin-6-yl)methyl]cyclobutane-1-carbonitrile
SMILESCc1cnc2ccc(CC3(C#N)CCC3)cc2c1
InChIInChI=1S/C16H16N2/c1-12-7-14-8-13(3-4-15(14)18-10-12)9-16(11-17)5-2-6-16/h3-4,7-8,10H,2,5-6,9H2,1H3
InChIKeyYFNNGZPGNIGTSG-UHFFFAOYSA-N
XLogP3.78
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(3-methylquinolin-6-yl)methyl]cyclobutane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(3-methylquinolin-6-yl)methyl]cyclobutyl]methanol
CID 116997484
[1-[(3-methylquinolin-6-yl)methyl]cyclopropyl]methanol
CID 116997477
[1-[(3-methylquinolin-6-yl)methyl]cyclopropyl]methanamine
CID 116997478
3-methyl-2-[(3-methylquinolin-6-yl)methyl]butanenitrile
CID 116997500
1-[[2-(3,5-dimethylphenyl)quinolin-7-yl]methyl]cyclopentane-1-carbonitrile
CID 167260709
1-[(3,4-dimethylphenyl)methyl]cyclooctane-1-carbonitrile
CID 80601404
1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]cyclopropane-1-carbonitrile
CID 116999861
6-(2-chloroethyl)-3-methylquinoline
CID 116997430
1-[(3,5-dimethylphenyl)methyl]cyclohexane-1-carbonitrile
CID 65377840
N-ethyl-2-(3-methylquinolin-6-yl)ethanamine
CID 116997407
1-(3-methylquinolin-6-yl)propan-2-amine
CID 83880771
N-[(3-methylquinolin-6-yl)methyl]cyclopropanamine
CID 116997781

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylquinolin-6-yl)methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[(3-methylquinolin-6-yl)methyl]cyclobutane-1-carbonitrile (CID 116997480) is 1-[(3-methylquinolin-6-yl)methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[(3-methylquinolin-6-yl)methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[(3-methylquinolin-6-yl)methyl]cyclobutane-1-carbonitrile is Cc1cnc2ccc(CC3(C#N)CCC3)cc2c1.
What is the InChIKey of 1-[(3-methylquinolin-6-yl)methyl]cyclobutane-1-carbonitrile?
The InChIKey is YFNNGZPGNIGTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-12-7-14-8-13(3-4-15(14)18-10-12)9-16(11-17)5-2-6-16/h3-4,7-8,10H,2,5-6,9H2,1H3.
What are the key properties of 1-[(3-methylquinolin-6-yl)methyl]cyclobutane-1-carbonitrile?
1-[(3-methylquinolin-6-yl)methyl]cyclobutane-1-carbonitrile has a molecular weight of 236.32 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylquinolin-6-yl)methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 116997480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).