1,8-dimethyl-3,4-dihydro-2H-quinoline-3-carbonitrile

C12H14N2 — CID 83752837

IUPAC1,8-dimethyl-3,4-dihydro-2H-quinoline-3-carbonitrile
SMILESCc1cccc2c1N(C)CC(C#N)C2
InChIInChI=1S/C12H14N2/c1-9-4-3-5-11-6-10(7-13)8-14(2)12(9)11/h3-5,10H,6,8H2,1-2H3
InChIKeyYSUVSAGJPUJMBC-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.13
Rot. Bonds

About 1,8-dimethyl-3,4-dihydro-2H-quinoline-3-carbonitrile

1,8-dimethyl-3,4-dihydro-2H-quinoline-3-carbonitrile (PubChem CID 83752837) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1,8-dimethyl-3,4-dihydro-2H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name1,8-dimethyl-3,4-dihydro-2H-quinoline-3-carbonitrile
PubChem CID83752837
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1,8-dimethyl-3,4-dihydro-2H-quinoline-3-carbonitrile
SMILESCc1cccc2c1N(C)CC(C#N)C2
InChIInChI=1S/C12H14N2/c1-9-4-3-5-11-6-10(7-13)8-14(2)12(9)11/h3-5,10H,6,8H2,1-2H3
InChIKeyYSUVSAGJPUJMBC-UHFFFAOYSA-N
XLogP2.13
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,7-dimethyl-2,3-dihydroindol-2-yl)propan-1-amine
CID 83860874
tert-butyl 3-cyano-8-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 83762930
(1,7-dimethyl-2,3-dihydroindol-3-yl)methanamine
CID 82276793
3-(2-methyl-6-propan-2-ylphenyl)-2-oxo-1,3-oxazinane-5-carbonitrile
CID 117010571
1,3,3,9-tetramethyl-4,5-dihydro-2H-1,4-benzodiazepine
CID 82241404
1,8-dimethyl-3,4-dihydro-2H-cinnoline
CID 66846857
1-(2,6-dimethylphenyl)-4,4-dimethylpiperidine-3-carbonitrile
CID 117025421
(3S,4R)-3-amino-1,8-dimethyl-3,4-dihydro-2H-quinolin-4-ol
CID 124510547
3-amino-1,8-dimethyl-3,4-dihydro-2H-quinolin-4-ol
CID 83753144
1-(2,6-dimethylphenyl)-4-ethynylpyrrolidin-2-one
CID 168501354
3-(7-methyl-2,3-dihydroindol-1-yl)propan-1-amine
CID 83752989
3-(1,7-dimethyl-2,3-dihydroindol-2-yl)propanoic acid
CID 83860886

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-3,4-dihydro-2H-quinoline-3-carbonitrile?
The IUPAC name of 1,8-dimethyl-3,4-dihydro-2H-quinoline-3-carbonitrile (CID 83752837) is 1,8-dimethyl-3,4-dihydro-2H-quinoline-3-carbonitrile.
What is the SMILES notation for 1,8-dimethyl-3,4-dihydro-2H-quinoline-3-carbonitrile?
The canonical SMILES for 1,8-dimethyl-3,4-dihydro-2H-quinoline-3-carbonitrile is Cc1cccc2c1N(C)CC(C#N)C2.
What is the InChIKey of 1,8-dimethyl-3,4-dihydro-2H-quinoline-3-carbonitrile?
The InChIKey is YSUVSAGJPUJMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-4-3-5-11-6-10(7-13)8-14(2)12(9)11/h3-5,10H,6,8H2,1-2H3.
What are the key properties of 1,8-dimethyl-3,4-dihydro-2H-quinoline-3-carbonitrile?
1,8-dimethyl-3,4-dihydro-2H-quinoline-3-carbonitrile has a molecular weight of 186.26 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-3,4-dihydro-2H-quinoline-3-carbonitrile is sourced from PubChem (CID 83752837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).