ethyl 1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate

C16H23NO3 — CID 69034792

IUPACethyl 1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCCCCn1c2c(cc(C(=O)OCC)c1=O)CCCC2
InChIInChI=1S/C16H23NO3/c1-3-5-10-17-14-9-7-6-8-12(14)11-13(15(17)18)16(19)20-4-2/h11H,3-10H2,1-2H3
InChIKeyLATFTZQUHIXUKC-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.70
Rot. Bonds5

About ethyl 1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate

ethyl 1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate (PubChem CID 69034792) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
PubChem CID69034792
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCCCCn1c2c(cc(C(=O)OCC)c1=O)CCCC2
InChIInChI=1S/C16H23NO3/c1-3-5-10-17-14-9-7-6-8-12(14)11-13(15(17)18)16(19)20-4-2/h11H,3-10H2,1-2H3
InChIKeyLATFTZQUHIXUKC-UHFFFAOYSA-N
XLogP2.70
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The IUPAC name of ethyl 1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate (CID 69034792) is ethyl 1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The canonical SMILES for ethyl 1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate is CCCCn1c2c(cc(C(=O)OCC)c1=O)CCCC2.
What is the InChIKey of ethyl 1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The InChIKey is LATFTZQUHIXUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-5-10-17-14-9-7-6-8-12(14)11-13(15(17)18)16(19)20-4-2/h11H,3-10H2,1-2H3.
What are the key properties of ethyl 1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate?
ethyl 1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate is sourced from PubChem (CID 69034792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).