ethyl 1-(4-methoxyphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxylate

C24H20N2O4 — CID 11741701

IUPACethyl 1-(4-methoxyphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(OC)cc2)c2cc(-c3ccncc3)ccc2c1=O
InChIInChI=1S/C24H20N2O4/c1-3-30-24(28)21-15-26(18-5-7-19(29-2)8-6-18)22-14-17(4-9-20(22)23(21)27)16-10-12-25-13-11-16/h4-15H,3H2,1-2H3
InChIKeyDTLNTNSWDIGTQP-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.24
Rot. Bonds5

About ethyl 1-(4-methoxyphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxylate

ethyl 1-(4-methoxyphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxylate (PubChem CID 11741701) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is ethyl 1-(4-methoxyphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methoxyphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxylate
PubChem CID11741701
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Nameethyl 1-(4-methoxyphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(OC)cc2)c2cc(-c3ccncc3)ccc2c1=O
InChIInChI=1S/C24H20N2O4/c1-3-30-24(28)21-15-26(18-5-7-19(29-2)8-6-18)22-14-17(4-9-20(22)23(21)27)16-10-12-25-13-11-16/h4-15H,3H2,1-2H3
InChIKeyDTLNTNSWDIGTQP-UHFFFAOYSA-N
XLogP4.24
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6,7,8-trifluoro-1-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylate
CID 23359023
1-(4-fluorophenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide;methanesulfonic acid;hydrate
CID 88616639
ethyl 1-(4-fluorophenyl)-4-oxo-7-(2-trimethylsilylethynyl)quinoline-3-carboxylate
CID 10024380
ethyl 1-ethyl-2-methyl-4-oxo-7-pyridin-4-ylquinoline-3-carboxylate
CID 10042633
2-[1-(4-hydroxyphenyl)-4-oxo-7-pyridin-4-ylquinolin-3-yl]acetamide
CID 19959079
propyl 1-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine-3-carboxylate
CID 170985030
ethyl 1-ethyl-7-(3-methyl-4-pyridinyl)-4-oxoquinoline-3-carboxylate
CID 13402590
ethane;ethyl 7-fluoro-4-oxo-6-phosphanyl-1-(4-phosphanyloxyphenyl)quinoline-3-carboxylate
CID 142119745
ethyl 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6-fluoro-1-(4-methoxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 11385492
ethyl 7-[(3S,4R)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(4-methoxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 11247666
ethyl 8-methyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 21497074
ethyl 7-acetyl-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylate
CID 70395461

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methoxyphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxylate?
The IUPAC name of ethyl 1-(4-methoxyphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxylate (CID 11741701) is ethyl 1-(4-methoxyphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-methoxyphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxylate?
The canonical SMILES for ethyl 1-(4-methoxyphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxylate is CCOC(=O)c1cn(-c2ccc(OC)cc2)c2cc(-c3ccncc3)ccc2c1=O.
What is the InChIKey of ethyl 1-(4-methoxyphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxylate?
The InChIKey is DTLNTNSWDIGTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-3-30-24(28)21-15-26(18-5-7-19(29-2)8-6-18)22-14-17(4-9-20(22)23(21)27)16-10-12-25-13-11-16/h4-15H,3H2,1-2H3.
What are the key properties of ethyl 1-(4-methoxyphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxylate?
ethyl 1-(4-methoxyphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxylate has a molecular weight of 400.43 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methoxyphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxylate is sourced from PubChem (CID 11741701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).