2-(2,6-dichlorophenyl)-8-methoxyquinoline-4-carboxylate

C17H10Cl2NO3- — CID 7139771

IUPAC2-(2,6-dichlorophenyl)-8-methoxyquinoline-4-carboxylate
SMILESCOc1cccc2c(C(=O)[O-])cc(-c3c(Cl)cccc3Cl)nc12
InChIInChI=1S/C17H11Cl2NO3/c1-23-14-7-2-4-9-10(17(21)22)8-13(20-16(9)14)15-11(18)5-3-6-12(15)19/h2-8H,1H3,(H,21,22)/p-1
InChIKeyWAAVHZHDNMXYOC-UHFFFAOYSA-M
MW347.18 g/mol
LogP3.58
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-8-methoxyquinoline-4-carboxylate

2-(2,6-dichlorophenyl)-8-methoxyquinoline-4-carboxylate (PubChem CID 7139771) has the molecular formula C17H10Cl2NO3- and a molecular weight of 347.18 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-8-methoxyquinoline-4-carboxylate.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-8-methoxyquinoline-4-carboxylate
PubChem CID7139771
Molecular FormulaC17H10Cl2NO3-
Molecular Weight347.18 g/mol
Exact Mass346.00
IUPAC Name2-(2,6-dichlorophenyl)-8-methoxyquinoline-4-carboxylate
SMILESCOc1cccc2c(C(=O)[O-])cc(-c3c(Cl)cccc3Cl)nc12
InChIInChI=1S/C17H11Cl2NO3/c1-23-14-7-2-4-9-10(17(21)22)8-13(20-16(9)14)15-11(18)5-3-6-12(15)19/h2-8H,1H3,(H,21,22)/p-1
InChIKeyWAAVHZHDNMXYOC-UHFFFAOYSA-M
XLogP3.58
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-butoxynaphthalen-1-yl)-8-methoxyquinoline-4-carboxylate
CID 7139855
2-(2-methoxynaphthalen-1-yl)-8-methylquinoline-4-carboxylate
CID 7139665
2-(3-bromo-5-methoxy-4-pentoxyphenyl)-8-methoxyquinoline-4-carboxylate
CID 7139869
8-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride
CID 46779499
8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 4746270
2-(3-ethoxyphenyl)-8-methoxyquinoline-4-carboxylic acid
CID 7139832
8-methoxy-2-(trifluoromethyl)quinoline-4-carbonyl chloride
CID 18002690
8-methoxy-2-methylsulfonylquinoline-4-carboxylic acid
CID 15179627
8-methoxy-2-(3-propoxyphenyl)quinoline-4-carboxylic acid
CID 7139834
dimethyl 8-chloroquinoline-2,4-dicarboxylate
CID 118171241
8-methoxy-2-pentan-3-ylquinoline-4-carboxylic acid
CID 5079636
6,8-dichloro-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 5028498

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-8-methoxyquinoline-4-carboxylate?
The IUPAC name of 2-(2,6-dichlorophenyl)-8-methoxyquinoline-4-carboxylate (CID 7139771) is 2-(2,6-dichlorophenyl)-8-methoxyquinoline-4-carboxylate.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-8-methoxyquinoline-4-carboxylate?
The canonical SMILES for 2-(2,6-dichlorophenyl)-8-methoxyquinoline-4-carboxylate is COc1cccc2c(C(=O)[O-])cc(-c3c(Cl)cccc3Cl)nc12.
What is the InChIKey of 2-(2,6-dichlorophenyl)-8-methoxyquinoline-4-carboxylate?
The InChIKey is WAAVHZHDNMXYOC-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H11Cl2NO3/c1-23-14-7-2-4-9-10(17(21)22)8-13(20-16(9)14)15-11(18)5-3-6-12(15)19/h2-8H,1H3,(H,21,22)/p-1.
What are the key properties of 2-(2,6-dichlorophenyl)-8-methoxyquinoline-4-carboxylate?
2-(2,6-dichlorophenyl)-8-methoxyquinoline-4-carboxylate has a molecular weight of 347.18 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-8-methoxyquinoline-4-carboxylate is sourced from PubChem (CID 7139771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).