ethyl 1-ethyl-4-oxoquinoline-2-carboxylate

C14H15NO3 — CID 13223148

IUPACethyl 1-ethyl-4-oxoquinoline-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2ccccc2n1CC
InChIInChI=1S/C14H15NO3/c1-3-15-11-8-6-5-7-10(11)13(16)9-12(15)14(17)18-4-2/h5-9H,3-4H2,1-2H3
InChIKeyDSRTZWNQDADHQJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.20
Rot. Bonds3

About ethyl 1-ethyl-4-oxoquinoline-2-carboxylate

ethyl 1-ethyl-4-oxoquinoline-2-carboxylate (PubChem CID 13223148) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 1-ethyl-4-oxoquinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-4-oxoquinoline-2-carboxylate
PubChem CID13223148
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Nameethyl 1-ethyl-4-oxoquinoline-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2ccccc2n1CC
InChIInChI=1S/C14H15NO3/c1-3-15-11-8-6-5-7-10(11)13(16)9-12(15)14(17)18-4-2/h5-9H,3-4H2,1-2H3
InChIKeyDSRTZWNQDADHQJ-UHFFFAOYSA-N
XLogP2.20
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(2-bromo-3-fluoro-4-pyridinyl)methyl]-4-oxoquinoline-2-carboxylate
CID 166439700
ethyl 6-ethoxy-1-ethyl-4,7-dioxo-5-phenoxycyclohepta[b]pyridine-2-carboxylate
CID 54121289
ethyl 2-amino-9-ethylpyrido[2,3-b]indol-1-ium-3-carboxylate
CID 6952701
diethyl 9-ethylpyrido[2,3-b]indole-2,3-dicarboxylate
CID 15309070
3-(2-ethoxycarbonyl-4-methylindol-1-yl)propanoic acid
CID 15548945
ethyl 2-(1-ethyl-4-methylindol-2-yl)-2-oxoacetate
CID 115072524
ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 47149271
ethyl 4-[(9-ethylcarbazol-3-yl)carbamoylamino]benzoate
CID 17179913
ethyl 1-prop-2-enylindole-2-carboxylate
CID 10398929
ethyl 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylate
CID 90082821
3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 1-ethylindole-2-carboxylate
CID 56528605
1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid
CID 82243055

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-4-oxoquinoline-2-carboxylate?
The IUPAC name of ethyl 1-ethyl-4-oxoquinoline-2-carboxylate (CID 13223148) is ethyl 1-ethyl-4-oxoquinoline-2-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-4-oxoquinoline-2-carboxylate?
The canonical SMILES for ethyl 1-ethyl-4-oxoquinoline-2-carboxylate is CCOC(=O)c1cc(=O)c2ccccc2n1CC.
What is the InChIKey of ethyl 1-ethyl-4-oxoquinoline-2-carboxylate?
The InChIKey is DSRTZWNQDADHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-15-11-8-6-5-7-10(11)13(16)9-12(15)14(17)18-4-2/h5-9H,3-4H2,1-2H3.
What are the key properties of ethyl 1-ethyl-4-oxoquinoline-2-carboxylate?
ethyl 1-ethyl-4-oxoquinoline-2-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-4-oxoquinoline-2-carboxylate is sourced from PubChem (CID 13223148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).