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

C16H14N2O3 — CID 43558372

IUPAC6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)N2CCCc3ccccc32)n1
InChIInChI=1S/C16H14N2O3/c19-15(12-7-3-8-13(17-12)16(20)21)18-10-4-6-11-5-1-2-9-14(11)18/h1-3,5,7-9H,4,6,10H2,(H,20,21)
InChIKeyGBWDZFKPMCMPDJ-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.37
Rot. Bonds2

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

6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid (PubChem CID 43558372) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid
PubChem CID43558372
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)N2CCCc3ccccc32)n1
InChIInChI=1S/C16H14N2O3/c19-15(12-7-3-8-13(17-12)16(20)21)18-10-4-6-11-5-1-2-9-14(11)18/h1-3,5,7-9H,4,6,10H2,(H,20,21)
InChIKeyGBWDZFKPMCMPDJ-UHFFFAOYSA-N
XLogP2.37
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxamide
CID 109099143
3,4-dihydro-2H-quinolin-1-yl-(6-piperidin-1-yl-2-pyridinyl)methanone
CID 84573646
[6-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 84573748
[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109095477
N-(2,6-difluorophenyl)-6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxamide
CID 109100371
6-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109100170
3,4-dihydro-2H-quinolin-1-yl-(8-hydroxyquinolin-2-yl)methanone
CID 46364191
[6-(cyclopropylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 84570920
3,4-dihydro-2H-quinolin-1-yl-(6-morpholin-4-yl-2-pyridinyl)methanone
CID 84573879
N-butyl-6-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-methylpyridine-2-carboxamide
CID 109099538
2,3-dihydroindol-1-yl-(6-methyl-2-pyridinyl)methanone
CID 33315959
3,4-dihydro-2H-quinolin-1-yl-(6-phenylpyrazin-2-yl)methanone
CID 171431136

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid (CID 43558372) is 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)N2CCCc3ccccc32)n1.
What is the InChIKey of 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid?
The InChIKey is GBWDZFKPMCMPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15(12-7-3-8-13(17-12)16(20)21)18-10-4-6-11-5-1-2-9-14(11)18/h1-3,5,7-9H,4,6,10H2,(H,20,21).
What are the key properties of 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid?
6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 43558372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).