4,7-dichloroquinoline-2-carboxylic acid

C10H5Cl2NO2 — CID 21426380

IUPAC4,7-dichloroquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)c2ccc(Cl)cc2n1
InChIInChI=1S/C10H5Cl2NO2/c11-5-1-2-6-7(12)4-9(10(14)15)13-8(6)3-5/h1-4H,(H,14,15)
InChIKeyOQSZTWNNWKDOGE-UHFFFAOYSA-N
MW242.06 g/mol
LogP3.24
Rot. Bonds1

About 4,7-dichloroquinoline-2-carboxylic acid

4,7-dichloroquinoline-2-carboxylic acid (PubChem CID 21426380) has the molecular formula C10H5Cl2NO2 and a molecular weight of 242.06 g/mol. Its IUPAC name is 4,7-dichloroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name4,7-dichloroquinoline-2-carboxylic acid
PubChem CID21426380
Molecular FormulaC10H5Cl2NO2
Molecular Weight242.06 g/mol
Exact Mass240.97
IUPAC Name4,7-dichloroquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)c2ccc(Cl)cc2n1
InChIInChI=1S/C10H5Cl2NO2/c11-5-1-2-6-7(12)4-9(10(14)15)13-8(6)3-5/h1-4H,(H,14,15)
InChIKeyOQSZTWNNWKDOGE-UHFFFAOYSA-N
XLogP3.24
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-6-chloroquinoline-2-carboxylic acid
CID 46398171
4,6-dichloro-7-methoxyquinoline-2-carboxylic acid
CID 107623316
1-(4-chloroquinolin-2-yl)ethanone
CID 14792596
2,7-dichloro-4-methylquinoline-3-carboxylic acid
CID 84635838
7-chloro-2-propan-2-ylquinoline-4-carboxylic acid
CID 60984699
7-chloro-2-(trifluoromethyl)quinoline-4-carboxylic acid
CID 71385990
methyl 7-chloro-4-oxo-1H-quinoline-2-carboxylate;methyl 4,7-dichloroquinoline-2-carboxylate
CID 161384100
4,7-dichloro-2-[1-(5-nitrofuran-2-yl)ethenyl]quinoline
CID 21159262
methyl 7-chloro-4-methylquinoline-2-carboxylate
CID 82574602
4-chloro-6,7,8-trifluoroquinoline-2-carboxylic acid
CID 55184890
4-chloro-5,7-difluoroquinoline-2-carboxylic acid
CID 63375740
4,7-dichloro-2-methoxyquinoline
CID 21101818

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloroquinoline-2-carboxylic acid?
The IUPAC name of 4,7-dichloroquinoline-2-carboxylic acid (CID 21426380) is 4,7-dichloroquinoline-2-carboxylic acid.
What is the SMILES notation for 4,7-dichloroquinoline-2-carboxylic acid?
The canonical SMILES for 4,7-dichloroquinoline-2-carboxylic acid is O=C(O)c1cc(Cl)c2ccc(Cl)cc2n1.
What is the InChIKey of 4,7-dichloroquinoline-2-carboxylic acid?
The InChIKey is OQSZTWNNWKDOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO2/c11-5-1-2-6-7(12)4-9(10(14)15)13-8(6)3-5/h1-4H,(H,14,15).
What are the key properties of 4,7-dichloroquinoline-2-carboxylic acid?
4,7-dichloroquinoline-2-carboxylic acid has a molecular weight of 242.06 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloroquinoline-2-carboxylic acid is sourced from PubChem (CID 21426380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).