2-(3-chlorophenyl)-5,6,7-trimethoxyquinoline-4-carboxylic acid

C19H16ClNO5 — CID 18073587

IUPAC2-(3-chlorophenyl)-5,6,7-trimethoxyquinoline-4-carboxylic acid
SMILESCOc1cc2nc(-c3cccc(Cl)c3)cc(C(=O)O)c2c(OC)c1OC
InChIInChI=1S/C19H16ClNO5/c1-24-15-9-14-16(18(26-3)17(15)25-2)12(19(22)23)8-13(21-14)10-5-4-6-11(20)7-10/h4-9H,1-3H3,(H,22,23)
InChIKeyXCIRZYIBHKMUPK-UHFFFAOYSA-N
MW373.79 g/mol
LogP4.28
Rot. Bonds5

About 2-(3-chlorophenyl)-5,6,7-trimethoxyquinoline-4-carboxylic acid

2-(3-chlorophenyl)-5,6,7-trimethoxyquinoline-4-carboxylic acid (PubChem CID 18073587) has the molecular formula C19H16ClNO5 and a molecular weight of 373.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5,6,7-trimethoxyquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5,6,7-trimethoxyquinoline-4-carboxylic acid
PubChem CID18073587
Molecular FormulaC19H16ClNO5
Molecular Weight373.79 g/mol
Exact Mass373.07
IUPAC Name2-(3-chlorophenyl)-5,6,7-trimethoxyquinoline-4-carboxylic acid
SMILESCOc1cc2nc(-c3cccc(Cl)c3)cc(C(=O)O)c2c(OC)c1OC
InChIInChI=1S/C19H16ClNO5/c1-24-15-9-14-16(18(26-3)17(15)25-2)12(19(22)23)8-13(21-14)10-5-4-6-11(20)7-10/h4-9H,1-3H3,(H,22,23)
InChIKeyXCIRZYIBHKMUPK-UHFFFAOYSA-N
XLogP4.28
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.79
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 18073642
6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid
CID 3321960
6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid
CID 3348265
6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
CID 3972728
2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 134913947
7-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
CID 4504347
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
2-(3-chlorophenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 3536626
2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid
CID 63462811
7-(3-chlorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 18073477
7-chloro-2-phenylquinoline-4-carboxylic acid;deuterium monohydride;methyl 7-chloro-2-phenylquinoline-4-carboxylate
CID 159549627
6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 18073657

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5,6,7-trimethoxyquinoline-4-carboxylic acid?
The IUPAC name of 2-(3-chlorophenyl)-5,6,7-trimethoxyquinoline-4-carboxylic acid (CID 18073587) is 2-(3-chlorophenyl)-5,6,7-trimethoxyquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-5,6,7-trimethoxyquinoline-4-carboxylic acid?
The canonical SMILES for 2-(3-chlorophenyl)-5,6,7-trimethoxyquinoline-4-carboxylic acid is COc1cc2nc(-c3cccc(Cl)c3)cc(C(=O)O)c2c(OC)c1OC.
What is the InChIKey of 2-(3-chlorophenyl)-5,6,7-trimethoxyquinoline-4-carboxylic acid?
The InChIKey is XCIRZYIBHKMUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO5/c1-24-15-9-14-16(18(26-3)17(15)25-2)12(19(22)23)8-13(21-14)10-5-4-6-11(20)7-10/h4-9H,1-3H3,(H,22,23).
What are the key properties of 2-(3-chlorophenyl)-5,6,7-trimethoxyquinoline-4-carboxylic acid?
2-(3-chlorophenyl)-5,6,7-trimethoxyquinoline-4-carboxylic acid has a molecular weight of 373.79 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5,6,7-trimethoxyquinoline-4-carboxylic acid is sourced from PubChem (CID 18073587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).