4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carbonitrile;hydrochloride

C12H15ClN2 — CID 86767500

IUPAC4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carbonitrile;hydrochloride
SMILESCC1(C)CCNc2ccc(C#N)cc21.Cl
InChIInChI=1S/C12H14N2.ClH/c1-12(2)5-6-14-11-4-3-9(8-13)7-10(11)12;/h3-4,7,14H,5-6H2,1-2H3;1H
InChIKeySXIRGVWMMXDJCA-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.07
Rot. Bonds

About 4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carbonitrile;hydrochloride

4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carbonitrile;hydrochloride (PubChem CID 86767500) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carbonitrile;hydrochloride
PubChem CID86767500
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carbonitrile;hydrochloride
SMILESCC1(C)CCNc2ccc(C#N)cc21.Cl
InChIInChI=1S/C12H14N2.ClH/c1-12(2)5-6-14-11-4-3-9(8-13)7-10(11)12;/h3-4,7,14H,5-6H2,1-2H3;1H
InChIKeySXIRGVWMMXDJCA-UHFFFAOYSA-N
XLogP3.07
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
1,2,3,4-Tetrahydroquinoline
CID 69460
N-(2-Cyanophenyl)piperazine
CID 2735875
1,2,3,4-Tetrahydro-4-methylquinoline
CID 86854
2-Methyl-1,2,3,4-tetrahydroquinoline
CID 96289
1H,5H-Benzo(ij)quinolizine-9-carbonitrile, 2,3,6,7-tetrahydro-
CID 293446
LG-120753
CID 9925534
1-(1-Methyl-1,2,3,4-tetrahydroquinolin-6-yl)propan-2-amine--hydrogen chloride (1/2)
CID 3043615
4-(Piperazin-1-yl)benzonitrile
CID 2733995
1-(2,4-Xylyl)piperazine
CID 70544
8-Methyl-1,2,3,4-tetrahydroquinoline
CID 2774166
6-(Trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 12647571

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carbonitrile;hydrochloride?
The IUPAC name of 4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carbonitrile;hydrochloride (CID 86767500) is 4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carbonitrile;hydrochloride.
What is the SMILES notation for 4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carbonitrile;hydrochloride?
The canonical SMILES for 4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carbonitrile;hydrochloride is CC1(C)CCNc2ccc(C#N)cc21.Cl.
What is the InChIKey of 4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carbonitrile;hydrochloride?
The InChIKey is SXIRGVWMMXDJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.ClH/c1-12(2)5-6-14-11-4-3-9(8-13)7-10(11)12;/h3-4,7,14H,5-6H2,1-2H3;1H.
What are the key properties of 4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carbonitrile;hydrochloride?
4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carbonitrile;hydrochloride has a molecular weight of 222.72 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carbonitrile;hydrochloride is sourced from PubChem (CID 86767500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).