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

C12H14N2 — CID 15304197

IUPAC2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)acetonitrile
SMILESCC1Cc2ccccc2N(CC#N)C1
InChIInChI=1S/C12H14N2/c1-10-8-11-4-2-3-5-12(11)14(9-10)7-6-13/h2-5,10H,7-9H2,1H3
InChIKeyQIHOFMTWBQIIAL-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.21
Rot. Bonds1

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

2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)acetonitrile (PubChem CID 15304197) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)acetonitrile
PubChem CID15304197
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)acetonitrile
SMILESCC1Cc2ccccc2N(CC#N)C1
InChIInChI=1S/C12H14N2/c1-10-8-11-4-2-3-5-12(11)14(9-10)7-6-13/h2-5,10H,7-9H2,1H3
InChIKeyQIHOFMTWBQIIAL-UHFFFAOYSA-N
XLogP2.21
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)acetonitrile 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-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 63404059
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-amine
CID 63468992
2-amino-2-methyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile
CID 63465804
3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile
CID 63513660
1-(4-bromobutyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 63447089
2-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-ol
CID 64791398
3-fluoro-4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]benzonitrile
CID 63373055
3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 55192460
5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine
CID 63404154
2-methyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63465258
N-tert-butyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine
CID 63492799
(3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 40526138

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)acetonitrile?
The IUPAC name of 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)acetonitrile (CID 15304197) is 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)acetonitrile.
What is the SMILES notation for 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)acetonitrile?
The canonical SMILES for 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)acetonitrile is CC1Cc2ccccc2N(CC#N)C1.
What is the InChIKey of 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)acetonitrile?
The InChIKey is QIHOFMTWBQIIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-10-8-11-4-2-3-5-12(11)14(9-10)7-6-13/h2-5,10H,7-9H2,1H3.
What are the key properties of 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)acetonitrile?
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)acetonitrile has a molecular weight of 186.26 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)acetonitrile is sourced from PubChem (CID 15304197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).