ethyl 5-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxylate

C16H19NO3 — CID 59822486

IUPACethyl 5-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c(C)cccc2n(C(C)C)c1=O
InChIInChI=1S/C16H19NO3/c1-5-20-16(19)13-9-12-11(4)7-6-8-14(12)17(10(2)3)15(13)18/h6-10H,5H2,1-4H3
InChIKeyYKGYDVLYJZFULK-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.07
Rot. Bonds3

About ethyl 5-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxylate

ethyl 5-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxylate (PubChem CID 59822486) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is ethyl 5-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxylate
PubChem CID59822486
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Nameethyl 5-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c(C)cccc2n(C(C)C)c1=O
InChIInChI=1S/C16H19NO3/c1-5-20-16(19)13-9-12-11(4)7-6-8-14(12)17(10(2)3)15(13)18/h6-10H,5H2,1-4H3
InChIKeyYKGYDVLYJZFULK-UHFFFAOYSA-N
XLogP3.07
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxylate (CID 59822486) is ethyl 5-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxylate is CCOC(=O)c1cc2c(C)cccc2n(C(C)C)c1=O.
What is the InChIKey of ethyl 5-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxylate?
The InChIKey is YKGYDVLYJZFULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-5-20-16(19)13-9-12-11(4)7-6-8-14(12)17(10(2)3)15(13)18/h6-10H,5H2,1-4H3.
What are the key properties of ethyl 5-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxylate?
ethyl 5-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxylate is sourced from PubChem (CID 59822486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).