2-carbamoyl-8-chloroquinoline-4-carboxylic acid

C11H7ClN2O3 — CID 118172273

IUPAC2-carbamoyl-8-chloroquinoline-4-carboxylic acid
SMILESNC(=O)c1cc(C(=O)O)c2cccc(Cl)c2n1
InChIInChI=1S/C11H7ClN2O3/c12-7-3-1-2-5-6(11(16)17)4-8(10(13)15)14-9(5)7/h1-4H,(H2,13,15)(H,16,17)
InChIKeyJEWKIHBAXSUHEV-UHFFFAOYSA-N
MW250.64 g/mol
LogP1.69
Rot. Bonds2

About 2-carbamoyl-8-chloroquinoline-4-carboxylic acid

2-carbamoyl-8-chloroquinoline-4-carboxylic acid (PubChem CID 118172273) has the molecular formula C11H7ClN2O3 and a molecular weight of 250.64 g/mol. Its IUPAC name is 2-carbamoyl-8-chloroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-carbamoyl-8-chloroquinoline-4-carboxylic acid
PubChem CID118172273
Molecular FormulaC11H7ClN2O3
Molecular Weight250.64 g/mol
Exact Mass250.01
IUPAC Name2-carbamoyl-8-chloroquinoline-4-carboxylic acid
SMILESNC(=O)c1cc(C(=O)O)c2cccc(Cl)c2n1
InChIInChI=1S/C11H7ClN2O3/c12-7-3-1-2-5-6(11(16)17)4-8(10(13)15)14-9(5)7/h1-4H,(H2,13,15)(H,16,17)
InChIKeyJEWKIHBAXSUHEV-UHFFFAOYSA-N
XLogP1.69
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.64
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-8-chloroquinoline-4-carboxylic acid?
The IUPAC name of 2-carbamoyl-8-chloroquinoline-4-carboxylic acid (CID 118172273) is 2-carbamoyl-8-chloroquinoline-4-carboxylic acid.
What is the SMILES notation for 2-carbamoyl-8-chloroquinoline-4-carboxylic acid?
The canonical SMILES for 2-carbamoyl-8-chloroquinoline-4-carboxylic acid is NC(=O)c1cc(C(=O)O)c2cccc(Cl)c2n1.
What is the InChIKey of 2-carbamoyl-8-chloroquinoline-4-carboxylic acid?
The InChIKey is JEWKIHBAXSUHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O3/c12-7-3-1-2-5-6(11(16)17)4-8(10(13)15)14-9(5)7/h1-4H,(H2,13,15)(H,16,17).
What are the key properties of 2-carbamoyl-8-chloroquinoline-4-carboxylic acid?
2-carbamoyl-8-chloroquinoline-4-carboxylic acid has a molecular weight of 250.64 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-8-chloroquinoline-4-carboxylic acid is sourced from PubChem (CID 118172273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).