4,5-dichloro-2-(quinolin-8-ylcarbamoyl)benzoic acid

C17H10Cl2N2O3 — CID 1085893

IUPAC4,5-dichloro-2-(quinolin-8-ylcarbamoyl)benzoic acid
SMILESO=C(O)c1cc(Cl)c(Cl)cc1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C17H10Cl2N2O3/c18-12-7-10(11(17(23)24)8-13(12)19)16(22)21-14-5-1-3-9-4-2-6-20-15(9)14/h1-8H,(H,21,22)(H,23,24)
InChIKeyRAEGRZPQCSGOGU-UHFFFAOYSA-N
MW361.18 g/mol
LogP4.49
Rot. Bonds3

About 4,5-dichloro-2-(quinolin-8-ylcarbamoyl)benzoic acid

4,5-dichloro-2-(quinolin-8-ylcarbamoyl)benzoic acid (PubChem CID 1085893) has the molecular formula C17H10Cl2N2O3 and a molecular weight of 361.18 g/mol. Its IUPAC name is 4,5-dichloro-2-(quinolin-8-ylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name4,5-dichloro-2-(quinolin-8-ylcarbamoyl)benzoic acid
PubChem CID1085893
Molecular FormulaC17H10Cl2N2O3
Molecular Weight361.18 g/mol
Exact Mass360.01
IUPAC Name4,5-dichloro-2-(quinolin-8-ylcarbamoyl)benzoic acid
SMILESO=C(O)c1cc(Cl)c(Cl)cc1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C17H10Cl2N2O3/c18-12-7-10(11(17(23)24)8-13(12)19)16(22)21-14-5-1-3-9-4-2-6-20-15(9)14/h1-8H,(H,21,22)(H,23,24)
InChIKeyRAEGRZPQCSGOGU-UHFFFAOYSA-N
XLogP4.49
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(quinolin-8-ylcarbamoyl)benzoic acid?
The IUPAC name of 4,5-dichloro-2-(quinolin-8-ylcarbamoyl)benzoic acid (CID 1085893) is 4,5-dichloro-2-(quinolin-8-ylcarbamoyl)benzoic acid.
What is the SMILES notation for 4,5-dichloro-2-(quinolin-8-ylcarbamoyl)benzoic acid?
The canonical SMILES for 4,5-dichloro-2-(quinolin-8-ylcarbamoyl)benzoic acid is O=C(O)c1cc(Cl)c(Cl)cc1C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 4,5-dichloro-2-(quinolin-8-ylcarbamoyl)benzoic acid?
The InChIKey is RAEGRZPQCSGOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N2O3/c18-12-7-10(11(17(23)24)8-13(12)19)16(22)21-14-5-1-3-9-4-2-6-20-15(9)14/h1-8H,(H,21,22)(H,23,24).
What are the key properties of 4,5-dichloro-2-(quinolin-8-ylcarbamoyl)benzoic acid?
4,5-dichloro-2-(quinolin-8-ylcarbamoyl)benzoic acid has a molecular weight of 361.18 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(quinolin-8-ylcarbamoyl)benzoic acid is sourced from PubChem (CID 1085893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).