4,5,7-trichloro-8-methoxyquinoline-3-carboxylic acid

C11H6Cl3NO3 — CID 141084525

IUPAC4,5,7-trichloro-8-methoxyquinoline-3-carboxylic acid
SMILESCOc1c(Cl)cc(Cl)c2c(Cl)c(C(=O)O)cnc12
InChIInChI=1S/C11H6Cl3NO3/c1-18-10-6(13)2-5(12)7-8(14)4(11(16)17)3-15-9(7)10/h2-3H,1H3,(H,16,17)
InChIKeyUFAGFBPIENOLPE-UHFFFAOYSA-N
MW306.53 g/mol
LogP3.90
Rot. Bonds2

About 4,5,7-trichloro-8-methoxyquinoline-3-carboxylic acid

4,5,7-trichloro-8-methoxyquinoline-3-carboxylic acid (PubChem CID 141084525) has the molecular formula C11H6Cl3NO3 and a molecular weight of 306.53 g/mol. Its IUPAC name is 4,5,7-trichloro-8-methoxyquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4,5,7-trichloro-8-methoxyquinoline-3-carboxylic acid
PubChem CID141084525
Molecular FormulaC11H6Cl3NO3
Molecular Weight306.53 g/mol
Exact Mass304.94
IUPAC Name4,5,7-trichloro-8-methoxyquinoline-3-carboxylic acid
SMILESCOc1c(Cl)cc(Cl)c2c(Cl)c(C(=O)O)cnc12
InChIInChI=1S/C11H6Cl3NO3/c1-18-10-6(13)2-5(12)7-8(14)4(11(16)17)3-15-9(7)10/h2-3H,1H3,(H,16,17)
InChIKeyUFAGFBPIENOLPE-UHFFFAOYSA-N
XLogP3.90
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.53
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-methoxy-6-methylpyridine-3-carboxylic acid
CID 22937797
methyl 4,6-dichloro-5,8-dimethoxyquinoline-3-carboxylate
CID 102614449
4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 67617550
5-chloro-4-methoxy-6-methylpyridine-3-carboxylic acid
CID 91254226
4,6,8-trichloroquinoline-3-carboxylic acid
CID 86810509
methyl 4,5,8-trichloroquinoline-3-carboxylate
CID 102614359
3-amino-5-chloro-2,4-dimethoxybenzoic acid
CID 84695063
6-bromo-4-chloro-8-methylquinoline-3-carboxylic acid
CID 131289686
2-chloro-3-methoxyterephthalic acid
CID 126601706
methyl 4,8-dichloroquinoline-3-carboxylate
CID 112703942
4,5,7,8-tetrachloro-3-methylquinoline
CID 171373423
5,7-dichloro-8-methoxy-3-propylquinazolin-4-one
CID 59726087

Frequently Asked Questions

What is the IUPAC name of 4,5,7-trichloro-8-methoxyquinoline-3-carboxylic acid?
The IUPAC name of 4,5,7-trichloro-8-methoxyquinoline-3-carboxylic acid (CID 141084525) is 4,5,7-trichloro-8-methoxyquinoline-3-carboxylic acid.
What is the SMILES notation for 4,5,7-trichloro-8-methoxyquinoline-3-carboxylic acid?
The canonical SMILES for 4,5,7-trichloro-8-methoxyquinoline-3-carboxylic acid is COc1c(Cl)cc(Cl)c2c(Cl)c(C(=O)O)cnc12.
What is the InChIKey of 4,5,7-trichloro-8-methoxyquinoline-3-carboxylic acid?
The InChIKey is UFAGFBPIENOLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3NO3/c1-18-10-6(13)2-5(12)7-8(14)4(11(16)17)3-15-9(7)10/h2-3H,1H3,(H,16,17).
What are the key properties of 4,5,7-trichloro-8-methoxyquinoline-3-carboxylic acid?
4,5,7-trichloro-8-methoxyquinoline-3-carboxylic acid has a molecular weight of 306.53 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7-trichloro-8-methoxyquinoline-3-carboxylic acid is sourced from PubChem (CID 141084525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).