ethyl 3-(4-methoxybenzoyl)quinoline-2-carboxylate

C20H17NO4 — CID 176908691

IUPACethyl 3-(4-methoxybenzoyl)quinoline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2cc1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H17NO4/c1-3-25-20(23)18-16(12-14-6-4-5-7-17(14)21-18)19(22)13-8-10-15(24-2)11-9-13/h4-12H,3H2,1-2H3
InChIKeySYWDJVWBDPQWJF-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.65
Rot. Bonds5

About ethyl 3-(4-methoxybenzoyl)quinoline-2-carboxylate

ethyl 3-(4-methoxybenzoyl)quinoline-2-carboxylate (PubChem CID 176908691) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is ethyl 3-(4-methoxybenzoyl)quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-methoxybenzoyl)quinoline-2-carboxylate
PubChem CID176908691
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Nameethyl 3-(4-methoxybenzoyl)quinoline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2cc1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H17NO4/c1-3-25-20(23)18-16(12-14-6-4-5-7-17(14)21-18)19(22)13-8-10-15(24-2)11-9-13/h4-12H,3H2,1-2H3
InChIKeySYWDJVWBDPQWJF-UHFFFAOYSA-N
XLogP3.65
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(4-nitrobenzoyl)quinoline-2-carboxylate
CID 176908694
2-O-ethyl 3-O-methyl 7-methoxyquinoline-2,3-dicarboxylate
CID 134910532
ethyl 3-benzoyl-5,7-dimethylquinoline-2-carboxylate
CID 176908700
tert-butyl 3-benzoylquinoline-2-carboxylate
CID 176908706
[2-(4-bromophenyl)quinolin-3-yl]-(4-methoxyphenyl)methanone
CID 164676439
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
2-aminoquinoline-3-carboxylic acid;ethyl 2-aminoquinoline-3-carboxylate
CID 161289500
ethyl 3-(4-methoxyphenyl)isoquinoline-1-carboxylate
CID 138972364
diethyl 6-fluoroquinoline-2,3-dicarboxylate
CID 13351927
diethyl 4-(4-methoxybenzoyl)thiophene-2,3-dicarboxylate
CID 54753916
ethyl 3-(4-methylphenyl)sulfonyloxyquinoline-2-carboxylate
CID 19692169
ethyl 3-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxaline-2-carboxylate
CID 50765029

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methoxybenzoyl)quinoline-2-carboxylate?
The IUPAC name of ethyl 3-(4-methoxybenzoyl)quinoline-2-carboxylate (CID 176908691) is ethyl 3-(4-methoxybenzoyl)quinoline-2-carboxylate.
What is the SMILES notation for ethyl 3-(4-methoxybenzoyl)quinoline-2-carboxylate?
The canonical SMILES for ethyl 3-(4-methoxybenzoyl)quinoline-2-carboxylate is CCOC(=O)c1nc2ccccc2cc1C(=O)c1ccc(OC)cc1.
What is the InChIKey of ethyl 3-(4-methoxybenzoyl)quinoline-2-carboxylate?
The InChIKey is SYWDJVWBDPQWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-3-25-20(23)18-16(12-14-6-4-5-7-17(14)21-18)19(22)13-8-10-15(24-2)11-9-13/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 3-(4-methoxybenzoyl)quinoline-2-carboxylate?
ethyl 3-(4-methoxybenzoyl)quinoline-2-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methoxybenzoyl)quinoline-2-carboxylate is sourced from PubChem (CID 176908691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).