4-cyclopentyl-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile

C17H22N2O2 — CID 58119712

IUPAC4-cyclopentyl-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)NC(=O)C(C#N)C2C1CCCC1
InChIInChI=1S/C17H22N2O2/c1-17(2)7-12-15(13(20)8-17)14(10-5-3-4-6-10)11(9-18)16(21)19-12/h10-11,14H,3-8H2,1-2H3,(H,19,21)
InChIKeyLSHOVGLTTYPTBD-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.71
Rot. Bonds1

About 4-cyclopentyl-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile

4-cyclopentyl-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile (PubChem CID 58119712) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-cyclopentyl-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-cyclopentyl-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile
PubChem CID58119712
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4-cyclopentyl-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)NC(=O)C(C#N)C2C1CCCC1
InChIInChI=1S/C17H22N2O2/c1-17(2)7-12-15(13(20)8-17)14(10-5-3-4-6-10)11(9-18)16(21)19-12/h10-11,14H,3-8H2,1-2H3,(H,19,21)
InChIKeyLSHOVGLTTYPTBD-UHFFFAOYSA-N
XLogP2.71
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyclopentyl-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

(3R,4R)-7,7-dimethyl-2,5-dioxo-4-phenyl-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 910627
7,7-dimethyl-5-oxo-4-phenyl-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 3004976
4-(2,3-dichlorophenyl)-7,7-dimethyl-2-methylidene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 4215864
9-(3-fluorocyclohexyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 140532637
(4S)-2,4,7,7-tetramethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 721570
2-amino-4-cyclohexyl-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
CID 2849286
(4R)-2,7,7-trimethyl-4-(2-methylpropyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 124896080
3-amino-4,7,7-trimethyl-5-oxo-4,6,8,9-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
CID 2841037
3,6,6-trimethyl-3,4,5,7-tetrahydro-1H-quinoxaline-2,8-dione
CID 15322685
(4S)-2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 124896085
2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 2818302
4-cyclohex-3-en-1-yl-7,7-dimethyl-2-methylsulfanyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 16566906

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile?
The IUPAC name of 4-cyclopentyl-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile (CID 58119712) is 4-cyclopentyl-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 4-cyclopentyl-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile?
The canonical SMILES for 4-cyclopentyl-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile is CC1(C)CC(=O)C2=C(C1)NC(=O)C(C#N)C2C1CCCC1.
What is the InChIKey of 4-cyclopentyl-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile?
The InChIKey is LSHOVGLTTYPTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(2)7-12-15(13(20)8-17)14(10-5-3-4-6-10)11(9-18)16(21)19-12/h10-11,14H,3-8H2,1-2H3,(H,19,21).
What are the key properties of 4-cyclopentyl-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile?
4-cyclopentyl-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile has a molecular weight of 286.38 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 58119712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).