4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride

C11H9Cl2NO3 — CID 67617550

IUPAC4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride
SMILESCOc1cccc2c(Cl)c(C(=O)O)cnc12.Cl
InChIInChI=1S/C11H8ClNO3.ClH/c1-16-8-4-2-3-6-9(12)7(11(14)15)5-13-10(6)8;/h2-5H,1H3,(H,14,15);1H
InChIKeyNNQIOTJTZACKTG-UHFFFAOYSA-N
MW274.10 g/mol
LogP3.02
Rot. Bonds2

About 4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride

4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride (PubChem CID 67617550) has the molecular formula C11H9Cl2NO3 and a molecular weight of 274.10 g/mol. Its IUPAC name is 4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride
PubChem CID67617550
Molecular FormulaC11H9Cl2NO3
Molecular Weight274.10 g/mol
Exact Mass273.00
IUPAC Name4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride
SMILESCOc1cccc2c(Cl)c(C(=O)O)cnc12.Cl
InChIInChI=1S/C11H8ClNO3.ClH/c1-16-8-4-2-3-6-9(12)7(11(14)15)5-13-10(6)8;/h2-5H,1H3,(H,14,15);1H
InChIKeyNNQIOTJTZACKTG-UHFFFAOYSA-N
XLogP3.02
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid
CID 39732432
3-acetyl-8-methoxy-1H-quinolin-4-one;1-(4-chloro-8-methoxyquinolin-3-yl)ethanone
CID 158708197
8-methoxyquinazoline-4-carboxylic acid
CID 105455920
methyl 4,8-dichloroquinoline-3-carboxylate
CID 112703942
4,5,7-trichloro-8-methoxyquinoline-3-carboxylic acid
CID 141084525
2-[(8-methoxy-3-methylquinolin-4-yl)-methylamino]acetic acid
CID 122052173
methyl 4-chloro-8-ethylquinoline-3-carboxylate
CID 102614374
4-chloro-5-methoxy-6-methylpyridine-3-carboxylic acid
CID 22937797
ethyl 4-chloro-8-(trifluoromethoxy)quinoline-3-carboxylate
CID 29272013
4-chloro-1,8-naphthyridine-3-carboxylic acid
CID 84676405
2-chloro-8-methoxy-4-oxoquinazoline-3-carboxylic acid
CID 117264841
ethyl 4,8-dichloroquinoline-3-carboxylate
CID 728974

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride?
The IUPAC name of 4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride (CID 67617550) is 4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride?
The canonical SMILES for 4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride is COc1cccc2c(Cl)c(C(=O)O)cnc12.Cl.
What is the InChIKey of 4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride?
The InChIKey is NNQIOTJTZACKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3.ClH/c1-16-8-4-2-3-6-9(12)7(11(14)15)5-13-10(6)8;/h2-5H,1H3,(H,14,15);1H.
What are the key properties of 4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride?
4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride has a molecular weight of 274.10 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 67617550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).