ethyl 2-(2-chlorophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxylate

C19H16ClNO4 — CID 22480990

IUPACethyl 2-(2-chlorophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2Cl)[nH]c2ccc(OC)cc2c1=O
InChIInChI=1S/C19H16ClNO4/c1-3-25-19(23)16-17(12-6-4-5-7-14(12)20)21-15-9-8-11(24-2)10-13(15)18(16)22/h4-10H,3H2,1-2H3,(H,21,22)
InChIKeyUMPJVDBTDCSUEB-UHFFFAOYSA-N
MW357.79 g/mol
LogP4.03
Rot. Bonds4

About ethyl 2-(2-chlorophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxylate

ethyl 2-(2-chlorophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 22480990) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is ethyl 2-(2-chlorophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-chlorophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxylate
PubChem CID22480990
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC Nameethyl 2-(2-chlorophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2Cl)[nH]c2ccc(OC)cc2c1=O
InChIInChI=1S/C19H16ClNO4/c1-3-25-19(23)16-17(12-6-4-5-7-14(12)20)21-15-9-8-11(24-2)10-13(15)18(16)22/h4-10H,3H2,1-2H3,(H,21,22)
InChIKeyUMPJVDBTDCSUEB-UHFFFAOYSA-N
XLogP4.03
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate
CID 3022167
ethyl 2-(3,4-dichlorophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 46884108
ethyl 2-(2,4-dichlorophenyl)-6-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 141399849
ethyl 2-(4-tert-butylphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 46884105
ethyl 7-methoxy-4-oxo-2-(3-propan-2-yloxyphenyl)-1H-quinoline-3-carboxylate
CID 71453508
2-(2-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 22481000
ethyl 4-oxo-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-quinoline-3-carboxylate
CID 67607592
ethyl 2-[(4-methoxyphenyl)methylsulfanyl]-4-oxo-1H-quinoline-3-carboxylate
CID 14885000
ethyl 3-(6-methoxy-2-oxo-1H-quinolin-4-yl)triazole-4-carboxylate
CID 155927166
3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one
CID 139937848
ethyl 2-methoxy-6,11-dioxobenzo[b]acridine-12-carboxylate
CID 15417172
tetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate
CID 11733003

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chlorophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 2-(2-chlorophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxylate (CID 22480990) is ethyl 2-(2-chlorophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-(2-chlorophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 2-(2-chlorophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c(-c2ccccc2Cl)[nH]c2ccc(OC)cc2c1=O.
What is the InChIKey of ethyl 2-(2-chlorophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is UMPJVDBTDCSUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c1-3-25-19(23)16-17(12-6-4-5-7-14(12)20)21-15-9-8-11(24-2)10-13(15)18(16)22/h4-10H,3H2,1-2H3,(H,21,22).
What are the key properties of ethyl 2-(2-chlorophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxylate?
ethyl 2-(2-chlorophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 357.79 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chlorophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 22480990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).