4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylic acid

C14H10N2O3 — CID 46890175

IUPAC4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]2)[nH]c2ccccc2c1=O
InChIInChI=1S/C14H10N2O3/c17-13-8-4-1-2-5-9(8)16-12(11(13)14(18)19)10-6-3-7-15-10/h1-7,15H,(H,16,17)(H,18,19)
InChIKeyDWKAQISLZUQZNU-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.22
Rot. Bonds2

About 4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylic acid

4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylic acid (PubChem CID 46890175) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylic acid
PubChem CID46890175
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]2)[nH]c2ccccc2c1=O
InChIInChI=1S/C14H10N2O3/c17-13-8-4-1-2-5-9(8)16-12(11(13)14(18)19)10-6-3-7-15-10/h1-7,15H,(H,16,17)(H,18,19)
InChIKeyDWKAQISLZUQZNU-UHFFFAOYSA-N
XLogP2.22
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylic acid?
The IUPAC name of 4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylic acid (CID 46890175) is 4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylic acid is O=C(O)c1c(-c2ccc[nH]2)[nH]c2ccccc2c1=O.
What is the InChIKey of 4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylic acid?
The InChIKey is DWKAQISLZUQZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-13-8-4-1-2-5-9(8)16-12(11(13)14(18)19)10-6-3-7-15-10/h1-7,15H,(H,16,17)(H,18,19).
What are the key properties of 4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylic acid?
4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 46890175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).