6-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline-2-carbonitrile

C13H15ClN2 — CID 86033646

IUPAC6-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline-2-carbonitrile
SMILESCC(C)N1c2ccc(Cl)cc2CCC1C#N
InChIInChI=1S/C13H15ClN2/c1-9(2)16-12(8-15)5-3-10-7-11(14)4-6-13(10)16/h4,6-7,9,12H,3,5H2,1-2H3
InChIKeyJLJJOMZSGSSJJS-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.39
Rot. Bonds1

About 6-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline-2-carbonitrile

6-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline-2-carbonitrile (PubChem CID 86033646) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 6-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline-2-carbonitrile.

Molecular Properties

Compound Name6-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline-2-carbonitrile
PubChem CID86033646
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name6-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline-2-carbonitrile
SMILESCC(C)N1c2ccc(Cl)cc2CCC1C#N
InChIInChI=1S/C13H15ClN2/c1-9(2)16-12(8-15)5-3-10-7-11(14)4-6-13(10)16/h4,6-7,9,12H,3,5H2,1-2H3
InChIKeyJLJJOMZSGSSJJS-UHFFFAOYSA-N
XLogP3.39
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)methanamine
CID 83868738
(2R)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-2-carbonitrile
CID 15304180
3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 117201259
1-(5-chloro-2-methylphenyl)aziridine-2-carbonitrile
CID 117009821
(1S)-5-chloro-1-ethyl-2,3-dihydro-1H-indene
CID 155718281
1-[1-(5-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine
CID 103975645
(4aR,10bR)-8-chloro-4-(1-phenylethyl)-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
CID 70190242
(2R)-7-fluoro-2-methyl-1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 163270361
(1R)-1-tert-butyl-5-chloro-2,3-dihydro-1H-indene
CID 71027763
4-(2,4-dichlorophenyl)morpholine-3-carbonitrile
CID 117009102
5-chloro-N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 104827853
5-chloro-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine
CID 115725341

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline-2-carbonitrile?
The IUPAC name of 6-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline-2-carbonitrile (CID 86033646) is 6-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline-2-carbonitrile.
What is the SMILES notation for 6-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline-2-carbonitrile?
The canonical SMILES for 6-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline-2-carbonitrile is CC(C)N1c2ccc(Cl)cc2CCC1C#N.
What is the InChIKey of 6-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline-2-carbonitrile?
The InChIKey is JLJJOMZSGSSJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-9(2)16-12(8-15)5-3-10-7-11(14)4-6-13(10)16/h4,6-7,9,12H,3,5H2,1-2H3.
What are the key properties of 6-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline-2-carbonitrile?
6-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline-2-carbonitrile has a molecular weight of 234.73 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline-2-carbonitrile is sourced from PubChem (CID 86033646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).