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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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).