ethane;7-methyl-5-oxo-2-piperidin-1-yl-7,8-dihydro-6H-quinoline-3-carbonitrile

C18H25N3O — CID 143095872

IUPACethane;7-methyl-5-oxo-2-piperidin-1-yl-7,8-dihydro-6H-quinoline-3-carbonitrile
SMILESCC.CC1CC(=O)c2cc(C#N)c(N3CCCCC3)nc2C1
InChIInChI=1S/C16H19N3O.C2H6/c1-11-7-14-13(15(20)8-11)9-12(10-17)16(18-14)19-5-3-2-4-6-19;1-2/h9,11H,2-8H2,1H3;1-2H3
InChIKeySMLIRZTWXBIIBT-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.73
Rot. Bonds1

About ethane;7-methyl-5-oxo-2-piperidin-1-yl-7,8-dihydro-6H-quinoline-3-carbonitrile

ethane;7-methyl-5-oxo-2-piperidin-1-yl-7,8-dihydro-6H-quinoline-3-carbonitrile (PubChem CID 143095872) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is ethane;7-methyl-5-oxo-2-piperidin-1-yl-7,8-dihydro-6H-quinoline-3-carbonitrile.

Molecular Properties

Compound Nameethane;7-methyl-5-oxo-2-piperidin-1-yl-7,8-dihydro-6H-quinoline-3-carbonitrile
PubChem CID143095872
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Nameethane;7-methyl-5-oxo-2-piperidin-1-yl-7,8-dihydro-6H-quinoline-3-carbonitrile
SMILESCC.CC1CC(=O)c2cc(C#N)c(N3CCCCC3)nc2C1
InChIInChI=1S/C16H19N3O.C2H6/c1-11-7-14-13(15(20)8-11)9-12(10-17)16(18-14)19-5-3-2-4-6-19;1-2/h9,11H,2-8H2,1H3;1-2H3
InChIKeySMLIRZTWXBIIBT-UHFFFAOYSA-N
XLogP3.73
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;7-methyl-5-oxo-2-piperidin-1-yl-7,8-dihydro-6H-quinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methyl-5-oxo-2-piperidin-1-yl-7,8-dihydro-6H-quinoline-3-carbonitrile
CID 143095873
2-(4-methylazepan-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63627036
(7S)-2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 930296
2-amino-7-methyl-7,8-dihydro-6H-quinolin-5-one
CID 84655577
2-amino-5-cyano-6-piperidin-1-ylpyridine-3-carboxylic acid
CID 14687183
1-(3-cyano-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidine-4-carbonyl chloride
CID 149371526
2-(4,4-dimethylazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 65280859
2-(3,5-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 54944458
2-(4-methyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 64681398
6-amino-2-piperidin-1-ylquinoline-3-carbonitrile
CID 28719765
2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 102846633
2-chloro-4-piperidin-1-ylpyrimidine-5-carbonitrile
CID 167090091

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-5-oxo-2-piperidin-1-yl-7,8-dihydro-6H-quinoline-3-carbonitrile?
The IUPAC name of ethane;7-methyl-5-oxo-2-piperidin-1-yl-7,8-dihydro-6H-quinoline-3-carbonitrile (CID 143095872) is ethane;7-methyl-5-oxo-2-piperidin-1-yl-7,8-dihydro-6H-quinoline-3-carbonitrile.
What is the SMILES notation for ethane;7-methyl-5-oxo-2-piperidin-1-yl-7,8-dihydro-6H-quinoline-3-carbonitrile?
The canonical SMILES for ethane;7-methyl-5-oxo-2-piperidin-1-yl-7,8-dihydro-6H-quinoline-3-carbonitrile is CC.CC1CC(=O)c2cc(C#N)c(N3CCCCC3)nc2C1.
What is the InChIKey of ethane;7-methyl-5-oxo-2-piperidin-1-yl-7,8-dihydro-6H-quinoline-3-carbonitrile?
The InChIKey is SMLIRZTWXBIIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.C2H6/c1-11-7-14-13(15(20)8-11)9-12(10-17)16(18-14)19-5-3-2-4-6-19;1-2/h9,11H,2-8H2,1H3;1-2H3.
What are the key properties of ethane;7-methyl-5-oxo-2-piperidin-1-yl-7,8-dihydro-6H-quinoline-3-carbonitrile?
ethane;7-methyl-5-oxo-2-piperidin-1-yl-7,8-dihydro-6H-quinoline-3-carbonitrile has a molecular weight of 299.42 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-5-oxo-2-piperidin-1-yl-7,8-dihydro-6H-quinoline-3-carbonitrile is sourced from PubChem (CID 143095872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).