1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

C16H19NO3 — CID 45382581

IUPAC1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1CCCN2C(=O)C1CCCC1
InChIInChI=1S/C16H19NO3/c18-15(11-5-1-2-6-11)17-10-4-8-12-13(16(19)20)7-3-9-14(12)17/h3,7,9,11H,1-2,4-6,8,10H2,(H,19,20)
InChIKeyKHVWDSPJZLGBCY-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.85
Rot. Bonds2

About 1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (PubChem CID 45382581) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
PubChem CID45382581
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1CCCN2C(=O)C1CCCC1
InChIInChI=1S/C16H19NO3/c18-15(11-5-1-2-6-11)17-10-4-8-12-13(16(19)20)7-3-9-14(12)17/h3,7,9,11H,1-2,4-6,8,10H2,(H,19,20)
InChIKeyKHVWDSPJZLGBCY-UHFFFAOYSA-N
XLogP2.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 45382534
1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61160509
1-(pyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 63007267
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone
CID 82707476
1-[(2S)-piperidine-2-carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 104913606
1-(5-oxopyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60832350
1-(cyclobutylmethylcarbamoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61199124
1-(2,3-dihydroindole-1-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 146083168
cyclohexyl-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]methanone
CID 114337075
1-[cyclopropylmethyl(methyl)carbamoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61208432
1-(1-cyclopropylethylcarbamoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61197187
1-[2-(azetidin-3-yl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 64611406

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (CID 45382581) is 1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is O=C(O)c1cccc2c1CCCN2C(=O)C1CCCC1.
What is the InChIKey of 1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The InChIKey is KHVWDSPJZLGBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-15(11-5-1-2-6-11)17-10-4-8-12-13(16(19)20)7-3-9-14(12)17/h3,7,9,11H,1-2,4-6,8,10H2,(H,19,20).
What are the key properties of 1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 45382581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).