2-(2-fluorophenyl)-3-oxo-5,6,7,8-tetrahydrocinnoline-4-carboxylic acid

C15H13FN2O3 — CID 82036489

IUPAC2-(2-fluorophenyl)-3-oxo-5,6,7,8-tetrahydrocinnoline-4-carboxylic acid
SMILESO=C(O)c1c2c(nn(-c3ccccc3F)c1=O)CCCC2
InChIInChI=1S/C15H13FN2O3/c16-10-6-2-4-8-12(10)18-14(19)13(15(20)21)9-5-1-3-7-11(9)17-18/h2,4,6,8H,1,3,5,7H2,(H,20,21)
InChIKeyXOGOSNGCNLKZSG-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.95
Rot. Bonds2

About 2-(2-fluorophenyl)-3-oxo-5,6,7,8-tetrahydrocinnoline-4-carboxylic acid

2-(2-fluorophenyl)-3-oxo-5,6,7,8-tetrahydrocinnoline-4-carboxylic acid (PubChem CID 82036489) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-oxo-5,6,7,8-tetrahydrocinnoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-oxo-5,6,7,8-tetrahydrocinnoline-4-carboxylic acid
PubChem CID82036489
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name2-(2-fluorophenyl)-3-oxo-5,6,7,8-tetrahydrocinnoline-4-carboxylic acid
SMILESO=C(O)c1c2c(nn(-c3ccccc3F)c1=O)CCCC2
InChIInChI=1S/C15H13FN2O3/c16-10-6-2-4-8-12(10)18-14(19)13(15(20)21)9-5-1-3-7-11(9)17-18/h2,4,6,8H,1,3,5,7H2,(H,20,21)
InChIKeyXOGOSNGCNLKZSG-UHFFFAOYSA-N
XLogP1.95
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-oxo-5,6,7,8-tetrahydrocinnoline-4-carboxylic acid?
The IUPAC name of 2-(2-fluorophenyl)-3-oxo-5,6,7,8-tetrahydrocinnoline-4-carboxylic acid (CID 82036489) is 2-(2-fluorophenyl)-3-oxo-5,6,7,8-tetrahydrocinnoline-4-carboxylic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-3-oxo-5,6,7,8-tetrahydrocinnoline-4-carboxylic acid?
The canonical SMILES for 2-(2-fluorophenyl)-3-oxo-5,6,7,8-tetrahydrocinnoline-4-carboxylic acid is O=C(O)c1c2c(nn(-c3ccccc3F)c1=O)CCCC2.
What is the InChIKey of 2-(2-fluorophenyl)-3-oxo-5,6,7,8-tetrahydrocinnoline-4-carboxylic acid?
The InChIKey is XOGOSNGCNLKZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-10-6-2-4-8-12(10)18-14(19)13(15(20)21)9-5-1-3-7-11(9)17-18/h2,4,6,8H,1,3,5,7H2,(H,20,21).
What are the key properties of 2-(2-fluorophenyl)-3-oxo-5,6,7,8-tetrahydrocinnoline-4-carboxylic acid?
2-(2-fluorophenyl)-3-oxo-5,6,7,8-tetrahydrocinnoline-4-carboxylic acid has a molecular weight of 288.28 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-oxo-5,6,7,8-tetrahydrocinnoline-4-carboxylic acid is sourced from PubChem (CID 82036489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).