ethyl 1-ethyl-7-(3-methyl-4-pyridinyl)-4-oxoquinoline-3-carboxylate

C20H20N2O3 — CID 13402590

IUPACethyl 1-ethyl-7-(3-methyl-4-pyridinyl)-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2cc(-c3ccncc3C)ccc2c1=O
InChIInChI=1S/C20H20N2O3/c1-4-22-12-17(20(24)25-5-2)19(23)16-7-6-14(10-18(16)22)15-8-9-21-11-13(15)3/h6-12H,4-5H2,1-3H3
InChIKeyOXAKRVSAFIUROM-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.57
Rot. Bonds4

About ethyl 1-ethyl-7-(3-methyl-4-pyridinyl)-4-oxoquinoline-3-carboxylate

ethyl 1-ethyl-7-(3-methyl-4-pyridinyl)-4-oxoquinoline-3-carboxylate (PubChem CID 13402590) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is ethyl 1-ethyl-7-(3-methyl-4-pyridinyl)-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-7-(3-methyl-4-pyridinyl)-4-oxoquinoline-3-carboxylate
PubChem CID13402590
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Nameethyl 1-ethyl-7-(3-methyl-4-pyridinyl)-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2cc(-c3ccncc3C)ccc2c1=O
InChIInChI=1S/C20H20N2O3/c1-4-22-12-17(20(24)25-5-2)19(23)16-7-6-14(10-18(16)22)15-8-9-21-11-13(15)3/h6-12H,4-5H2,1-3H3
InChIKeyOXAKRVSAFIUROM-UHFFFAOYSA-N
XLogP3.57
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-ethyl-7-(2-methyl-1,3-thiazol-5-yl)-4-oxoquinoline-3-carboxylate
CID 10088750
ethyl 4-oxo-1-(pyridin-4-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxylate
CID 53418155
ethyl 8-ethyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 12847897
ethyl 1-ethyl-4-oxo-7-piperazin-1-yl-1,6-naphthyridine-3-carboxylate
CID 12804052
ethyl 1-(4-methoxyphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxylate
CID 11741701
ethyl 4-oxo-1-propyl-7-(trifluoromethyl)quinoline-3-carboxylate
CID 53418149
ethyl 8-ethyl-5-oxo-2-pyridin-3-ylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 12847896
ethyl 6-ethoxy-1-ethyl-7-fluoro-4-oxoquinoline-3-carboxylate
CID 744481
ethyl 6-methyl-4-oxo-1-(pyridin-4-ylmethyl)quinoline-3-carboxylate
CID 143904177
ethyl 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylate
CID 12804054
ethyl 6-chloro-7-cyano-1-ethyl-4-oxoquinoline-3-carboxylate
CID 15050577
ethyl 6-fluoro-4-oxo-1-(pyridin-4-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxylate
CID 53418743

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-7-(3-methyl-4-pyridinyl)-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 1-ethyl-7-(3-methyl-4-pyridinyl)-4-oxoquinoline-3-carboxylate (CID 13402590) is ethyl 1-ethyl-7-(3-methyl-4-pyridinyl)-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-7-(3-methyl-4-pyridinyl)-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 1-ethyl-7-(3-methyl-4-pyridinyl)-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(CC)c2cc(-c3ccncc3C)ccc2c1=O.
What is the InChIKey of ethyl 1-ethyl-7-(3-methyl-4-pyridinyl)-4-oxoquinoline-3-carboxylate?
The InChIKey is OXAKRVSAFIUROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-4-22-12-17(20(24)25-5-2)19(23)16-7-6-14(10-18(16)22)15-8-9-21-11-13(15)3/h6-12H,4-5H2,1-3H3.
What are the key properties of ethyl 1-ethyl-7-(3-methyl-4-pyridinyl)-4-oxoquinoline-3-carboxylate?
ethyl 1-ethyl-7-(3-methyl-4-pyridinyl)-4-oxoquinoline-3-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-7-(3-methyl-4-pyridinyl)-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 13402590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).