1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C13H14N2O — CID 82522466

IUPAC1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(n(C3CC3)c1=O)CCCC2
InChIInChI=1S/C13H14N2O/c14-8-10-7-9-3-1-2-4-12(9)15(13(10)16)11-5-6-11/h7,11H,1-6H2
InChIKeyPJMQYLLSRLPWRD-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.93
Rot. Bonds1

About 1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile

1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 82522466) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID82522466
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(n(C3CC3)c1=O)CCCC2
InChIInChI=1S/C13H14N2O/c14-8-10-7-9-3-1-2-4-12(9)15(13(10)16)11-5-6-11/h7,11H,1-6H2
InChIKeyPJMQYLLSRLPWRD-UHFFFAOYSA-N
XLogP1.93
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetonitrile
CID 82522250
3-(bromomethyl)-1-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522451
3-(1-aminoethyl)-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523085
1-cyclopentyl-3-(2-hydroxypropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522859
1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl chloride
CID 82522241
1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 82522253
3-(aminomethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82189071
1-cyclopentyl-3-(hydroxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522879
1-cyclopentyl-3-[(cyclopentylamino)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522868
1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbohydrazide
CID 82522239
3-(1-aminoethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522850
1-cyclopropyl-3-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522440

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 82522466) is 1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile is N#Cc1cc2c(n(C3CC3)c1=O)CCCC2.
What is the InChIKey of 1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is PJMQYLLSRLPWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-8-10-7-9-3-1-2-4-12(9)15(13(10)16)11-5-6-11/h7,11H,1-6H2.
What are the key properties of 1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 214.27 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 82522466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).