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

C15H14N2O3 — CID 106902469

IUPAC1-(1H-pyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N(C(=O)c2ccc[nH]2)C1
InChIInChI=1S/C15H14N2O3/c18-14(12-5-3-7-16-12)17-9-11(15(19)20)8-10-4-1-2-6-13(10)17/h1-7,11,16H,8-9H2,(H,19,20)
InChIKeyJTRNKFZDTBSLIT-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.92
Rot. Bonds2

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

1-(1H-pyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid (PubChem CID 106902469) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-(1H-pyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(1H-pyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
PubChem CID106902469
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name1-(1H-pyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N(C(=O)c2ccc[nH]2)C1
InChIInChI=1S/C15H14N2O3/c18-14(12-5-3-7-16-12)17-9-11(15(19)20)8-10-4-1-2-6-13(10)17/h1-7,11,16H,8-9H2,(H,19,20)
InChIKeyJTRNKFZDTBSLIT-UHFFFAOYSA-N
XLogP1.92
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902190
1-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902409
1-(piperidine-4-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106901905
1-(3-methylfuran-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902026
1-(5-methyl-1,2,4-oxadiazole-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902381
1-[butan-2-yl(methyl)carbamoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902836
1-(2-methylsulfonylacetyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902475
2-(1H-pyrrole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65263251
1-[(3R)-piperidine-3-carbonyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106901890
1-(2-butylsulfanylacetyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902458
1-(3-propoxypropanoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902474
1-(3-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106901863

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The IUPAC name of 1-(1H-pyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid (CID 106902469) is 1-(1H-pyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid.
What is the SMILES notation for 1-(1H-pyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The canonical SMILES for 1-(1H-pyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid is O=C(O)C1Cc2ccccc2N(C(=O)c2ccc[nH]2)C1.
What is the InChIKey of 1-(1H-pyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The InChIKey is JTRNKFZDTBSLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-14(12-5-3-7-16-12)17-9-11(15(19)20)8-10-4-1-2-6-13(10)17/h1-7,11,16H,8-9H2,(H,19,20).
What are the key properties of 1-(1H-pyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
1-(1H-pyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid is sourced from PubChem (CID 106902469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).