2-carbamoyl-5,7-difluoroquinoline-4-carboxylic acid

C11H6F2N2O3 — CID 118171252

IUPAC2-carbamoyl-5,7-difluoroquinoline-4-carboxylic acid
SMILESNC(=O)c1cc(C(=O)O)c2c(F)cc(F)cc2n1
InChIInChI=1S/C11H6F2N2O3/c12-4-1-6(13)9-5(11(17)18)3-8(10(14)16)15-7(9)2-4/h1-3H,(H2,14,16)(H,17,18)
InChIKeySQFZIIPCFKITEP-UHFFFAOYSA-N
MW252.18 g/mol
LogP1.31
Rot. Bonds2

About 2-carbamoyl-5,7-difluoroquinoline-4-carboxylic acid

2-carbamoyl-5,7-difluoroquinoline-4-carboxylic acid (PubChem CID 118171252) has the molecular formula C11H6F2N2O3 and a molecular weight of 252.18 g/mol. Its IUPAC name is 2-carbamoyl-5,7-difluoroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-carbamoyl-5,7-difluoroquinoline-4-carboxylic acid
PubChem CID118171252
Molecular FormulaC11H6F2N2O3
Molecular Weight252.18 g/mol
Exact Mass252.03
IUPAC Name2-carbamoyl-5,7-difluoroquinoline-4-carboxylic acid
SMILESNC(=O)c1cc(C(=O)O)c2c(F)cc(F)cc2n1
InChIInChI=1S/C11H6F2N2O3/c12-4-1-6(13)9-5(11(17)18)3-8(10(14)16)15-7(9)2-4/h1-3H,(H2,14,16)(H,17,18)
InChIKeySQFZIIPCFKITEP-UHFFFAOYSA-N
XLogP1.31
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.18
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-5,7-difluoroquinoline-4-carboxylic acid?
The IUPAC name of 2-carbamoyl-5,7-difluoroquinoline-4-carboxylic acid (CID 118171252) is 2-carbamoyl-5,7-difluoroquinoline-4-carboxylic acid.
What is the SMILES notation for 2-carbamoyl-5,7-difluoroquinoline-4-carboxylic acid?
The canonical SMILES for 2-carbamoyl-5,7-difluoroquinoline-4-carboxylic acid is NC(=O)c1cc(C(=O)O)c2c(F)cc(F)cc2n1.
What is the InChIKey of 2-carbamoyl-5,7-difluoroquinoline-4-carboxylic acid?
The InChIKey is SQFZIIPCFKITEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N2O3/c12-4-1-6(13)9-5(11(17)18)3-8(10(14)16)15-7(9)2-4/h1-3H,(H2,14,16)(H,17,18).
What are the key properties of 2-carbamoyl-5,7-difluoroquinoline-4-carboxylic acid?
2-carbamoyl-5,7-difluoroquinoline-4-carboxylic acid has a molecular weight of 252.18 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-5,7-difluoroquinoline-4-carboxylic acid is sourced from PubChem (CID 118171252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).