ethyl 4-oxo-6-propyl-1H-quinoline-3-carboxylate

C15H17NO3 — CID 11572455

IUPACethyl 4-oxo-6-propyl-1H-quinoline-3-carboxylate
SMILESCCCc1ccc2[nH]cc(C(=O)OCC)c(=O)c2c1
InChIInChI=1S/C15H17NO3/c1-3-5-10-6-7-13-11(8-10)14(17)12(9-16-13)15(18)19-4-2/h6-9H,3-5H2,1-2H3,(H,16,17)
InChIKeyGLVXKESFOXDNRX-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.66
Rot. Bonds4

About ethyl 4-oxo-6-propyl-1H-quinoline-3-carboxylate

ethyl 4-oxo-6-propyl-1H-quinoline-3-carboxylate (PubChem CID 11572455) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is ethyl 4-oxo-6-propyl-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-6-propyl-1H-quinoline-3-carboxylate
PubChem CID11572455
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Nameethyl 4-oxo-6-propyl-1H-quinoline-3-carboxylate
SMILESCCCc1ccc2[nH]cc(C(=O)OCC)c(=O)c2c1
InChIInChI=1S/C15H17NO3/c1-3-5-10-6-7-13-11(8-10)14(17)12(9-16-13)15(18)19-4-2/h6-9H,3-5H2,1-2H3,(H,16,17)
InChIKeyGLVXKESFOXDNRX-UHFFFAOYSA-N
XLogP2.66
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-6-propyl-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 4-oxo-6-propyl-1H-quinoline-3-carboxylate (CID 11572455) is ethyl 4-oxo-6-propyl-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-oxo-6-propyl-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-oxo-6-propyl-1H-quinoline-3-carboxylate is CCCc1ccc2[nH]cc(C(=O)OCC)c(=O)c2c1.
What is the InChIKey of ethyl 4-oxo-6-propyl-1H-quinoline-3-carboxylate?
The InChIKey is GLVXKESFOXDNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-5-10-6-7-13-11(8-10)14(17)12(9-16-13)15(18)19-4-2/h6-9H,3-5H2,1-2H3,(H,16,17).
What are the key properties of ethyl 4-oxo-6-propyl-1H-quinoline-3-carboxylate?
ethyl 4-oxo-6-propyl-1H-quinoline-3-carboxylate has a molecular weight of 259.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-6-propyl-1H-quinoline-3-carboxylate is sourced from PubChem (CID 11572455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).