1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid

C16H20N2O3 — CID 61157417

IUPAC1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCCN2C(=O)C1CCCNC1
InChIInChI=1S/C16H20N2O3/c19-15(13-3-1-7-17-10-13)18-8-2-4-11-9-12(16(20)21)5-6-14(11)18/h5-6,9,13,17H,1-4,7-8,10H2,(H,20,21)
InChIKeyHVMOHYJFFIRGGO-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.66
Rot. Bonds2

About 1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid

1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid (PubChem CID 61157417) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
PubChem CID61157417
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCCN2C(=O)C1CCCNC1
InChIInChI=1S/C16H20N2O3/c19-15(13-3-1-7-17-10-13)18-8-2-4-11-9-12(16(20)21)5-6-14(11)18/h5-6,9,13,17H,1-4,7-8,10H2,(H,20,21)
InChIKeyHVMOHYJFFIRGGO-UHFFFAOYSA-N
XLogP1.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119269291
1-(pyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157415
(5-bromo-2,3-dihydroindol-1-yl)-piperidin-3-ylmethanone
CID 119280350
1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61160509
1-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737681
1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid
CID 61157412
1-(4-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 63714163
1-(pyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 63007267
1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43325464
N,N-diethyl-1-(piperidine-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 119274837
2-bromo-1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropan-1-one
CID 82258968
1,2,3,4,4a,5,6,7-octahydropyrazino[1,2-a][1]benzazepine-9-carboxylic acid
CID 68801411

Frequently Asked Questions

What is the IUPAC name of 1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The IUPAC name of 1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid (CID 61157417) is 1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid.
What is the SMILES notation for 1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The canonical SMILES for 1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid is O=C(O)c1ccc2c(c1)CCCN2C(=O)C1CCCNC1.
What is the InChIKey of 1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The InChIKey is HVMOHYJFFIRGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(13-3-1-7-17-10-13)18-8-2-4-11-9-12(16(20)21)5-6-14(11)18/h5-6,9,13,17H,1-4,7-8,10H2,(H,20,21).
What are the key properties of 1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid is sourced from PubChem (CID 61157417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).