4-oxo-5H-furo[3,2-c]quinoline-2-carboxylic acid

C12H7NO4 — CID 121001648

IUPAC4-oxo-5H-furo[3,2-c]quinoline-2-carboxylic acid
SMILESO=C(O)c1cc2c(=O)[nH]c3ccccc3c2o1
InChIInChI=1S/C12H7NO4/c14-11-7-5-9(12(15)16)17-10(7)6-3-1-2-4-8(6)13-11/h1-5H,(H,13,14)(H,15,16)
InChIKeyVQMJAYPWQYWGOB-UHFFFAOYSA-N
MW229.19 g/mol
LogP1.97
Rot. Bonds1

About 4-oxo-5H-furo[3,2-c]quinoline-2-carboxylic acid

4-oxo-5H-furo[3,2-c]quinoline-2-carboxylic acid (PubChem CID 121001648) has the molecular formula C12H7NO4 and a molecular weight of 229.19 g/mol. Its IUPAC name is 4-oxo-5H-furo[3,2-c]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-5H-furo[3,2-c]quinoline-2-carboxylic acid
PubChem CID121001648
Molecular FormulaC12H7NO4
Molecular Weight229.19 g/mol
Exact Mass229.04
IUPAC Name4-oxo-5H-furo[3,2-c]quinoline-2-carboxylic acid
SMILESO=C(O)c1cc2c(=O)[nH]c3ccccc3c2o1
InChIInChI=1S/C12H7NO4/c14-11-7-5-9(12(15)16)17-10(7)6-3-1-2-4-8(6)13-11/h1-5H,(H,13,14)(H,15,16)
InChIKeyVQMJAYPWQYWGOB-UHFFFAOYSA-N
XLogP1.97
TPSA83.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-5H-pyrano[3,2-b]indole-2-carboxylic acid
CID 10443783
9-chloro-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylic acid
CID 12724107
phthalic acid;1H-quinazoline-2,4-dione
CID 160781113
4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 54697499
8,9-dihydroxy-5H-[1]benzofuro[3,2-c]quinolin-6-one
CID 14523217
7-chloro-4-oxo-5H-furo[2,3-d]pyridazine-2-carboxylic acid
CID 90448542
9H-carbazole;carbonic acid
CID 67577328
acetic acid;1H-quinazoline-2,4-dione
CID 67165558
N,N-diethyl-4H-furo[3,2-b]indole-2-carboxamide
CID 12521839
8-methyl-4H-furo[3,2-b]indole-2-carboxylic acid
CID 82393897
8-(dimethylamino)-2,5-dioxo-6H-pyrano[3,2-c]quinoline-3-carboxylic acid
CID 67830822
benzoic acid;9H-carbazole
CID 162147282

Frequently Asked Questions

What is the IUPAC name of 4-oxo-5H-furo[3,2-c]quinoline-2-carboxylic acid?
The IUPAC name of 4-oxo-5H-furo[3,2-c]quinoline-2-carboxylic acid (CID 121001648) is 4-oxo-5H-furo[3,2-c]quinoline-2-carboxylic acid.
What is the SMILES notation for 4-oxo-5H-furo[3,2-c]quinoline-2-carboxylic acid?
The canonical SMILES for 4-oxo-5H-furo[3,2-c]quinoline-2-carboxylic acid is O=C(O)c1cc2c(=O)[nH]c3ccccc3c2o1.
What is the InChIKey of 4-oxo-5H-furo[3,2-c]quinoline-2-carboxylic acid?
The InChIKey is VQMJAYPWQYWGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO4/c14-11-7-5-9(12(15)16)17-10(7)6-3-1-2-4-8(6)13-11/h1-5H,(H,13,14)(H,15,16).
What are the key properties of 4-oxo-5H-furo[3,2-c]quinoline-2-carboxylic acid?
4-oxo-5H-furo[3,2-c]quinoline-2-carboxylic acid has a molecular weight of 229.19 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-5H-furo[3,2-c]quinoline-2-carboxylic acid is sourced from PubChem (CID 121001648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).