ethyl 8-cyclopropyl-2-oxo-1H-quinoline-6-carboxylate

C15H15NO3 — CID 90129630

IUPACethyl 8-cyclopropyl-2-oxo-1H-quinoline-6-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)c2[nH]c(=O)ccc2c1
InChIInChI=1S/C15H15NO3/c1-2-19-15(18)11-7-10-5-6-13(17)16-14(10)12(8-11)9-3-4-9/h5-9H,2-4H2,1H3,(H,16,17)
InChIKeyRZLAOFIEQVMTGO-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.58
Rot. Bonds3

About ethyl 8-cyclopropyl-2-oxo-1H-quinoline-6-carboxylate

ethyl 8-cyclopropyl-2-oxo-1H-quinoline-6-carboxylate (PubChem CID 90129630) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl 8-cyclopropyl-2-oxo-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 8-cyclopropyl-2-oxo-1H-quinoline-6-carboxylate
PubChem CID90129630
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Nameethyl 8-cyclopropyl-2-oxo-1H-quinoline-6-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)c2[nH]c(=O)ccc2c1
InChIInChI=1S/C15H15NO3/c1-2-19-15(18)11-7-10-5-6-13(17)16-14(10)12(8-11)9-3-4-9/h5-9H,2-4H2,1H3,(H,16,17)
InChIKeyRZLAOFIEQVMTGO-UHFFFAOYSA-N
XLogP2.58
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-cyclopropyl-2-oxo-1H-quinoline-6-carboxylate?
The IUPAC name of ethyl 8-cyclopropyl-2-oxo-1H-quinoline-6-carboxylate (CID 90129630) is ethyl 8-cyclopropyl-2-oxo-1H-quinoline-6-carboxylate.
What is the SMILES notation for ethyl 8-cyclopropyl-2-oxo-1H-quinoline-6-carboxylate?
The canonical SMILES for ethyl 8-cyclopropyl-2-oxo-1H-quinoline-6-carboxylate is CCOC(=O)c1cc(C2CC2)c2[nH]c(=O)ccc2c1.
What is the InChIKey of ethyl 8-cyclopropyl-2-oxo-1H-quinoline-6-carboxylate?
The InChIKey is RZLAOFIEQVMTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-2-19-15(18)11-7-10-5-6-13(17)16-14(10)12(8-11)9-3-4-9/h5-9H,2-4H2,1H3,(H,16,17).
What are the key properties of ethyl 8-cyclopropyl-2-oxo-1H-quinoline-6-carboxylate?
ethyl 8-cyclopropyl-2-oxo-1H-quinoline-6-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-cyclopropyl-2-oxo-1H-quinoline-6-carboxylate is sourced from PubChem (CID 90129630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).