propyl 2-oxo-4aH-quinoline-4-carboxylate

C13H13NO3 — CID 78201725

IUPACpropyl 2-oxo-4aH-quinoline-4-carboxylate
SMILESCCCOC(=O)C1=CC(=O)N=C2C=CC=CC12
InChIInChI=1S/C13H13NO3/c1-2-7-17-13(16)10-8-12(15)14-11-6-4-3-5-9(10)11/h3-6,8-9H,2,7H2,1H3
InChIKeyGDCGWIWUZGIOBF-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.59
Rot. Bonds3

About propyl 2-oxo-4aH-quinoline-4-carboxylate

propyl 2-oxo-4aH-quinoline-4-carboxylate (PubChem CID 78201725) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is propyl 2-oxo-4aH-quinoline-4-carboxylate.

Molecular Properties

Compound Namepropyl 2-oxo-4aH-quinoline-4-carboxylate
PubChem CID78201725
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Namepropyl 2-oxo-4aH-quinoline-4-carboxylate
SMILESCCCOC(=O)C1=CC(=O)N=C2C=CC=CC12
InChIInChI=1S/C13H13NO3/c1-2-7-17-13(16)10-8-12(15)14-11-6-4-3-5-9(10)11/h3-6,8-9H,2,7H2,1H3
InChIKeyGDCGWIWUZGIOBF-UHFFFAOYSA-N
XLogP1.59
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-oxo-5-propan-2-ylbenzimidazole-4-carboxylate
CID 66979051
methyl 2-methylidene-6H-quinolin-6-ylium-4-carboxylate
CID 142143458
Ethyl 2-oxobenzimidazole-4-carboxylate
CID 174661181
6-methyl-2-oxo-4aH-quinoline-4-carboxylic acid
CID 71650455
methyl 2-oxo-4aH-quinoline-4-carboxylate
CID 72207841
ethyl 2-oxo-4aH-quinoline-7-carboxylate
CID 72744845
methyl 3-methyl-2-oxo-4aH-quinoline-7-carboxylate
CID 74017935
methyl 3-oxo-8aH-isoquinoline-8-carboxylate
CID 74325916
ethyl 2-oxo-4aH-quinoline-4-carboxylate
CID 76845382
ethyl 6-bromo-2-oxo-4aH-quinoline-4-carboxylate
CID 76845765
ethyl 6-chloro-2-oxo-4aH-quinoline-4-carboxylate
CID 76845766
ethyl 7-bromo-2-oxo-4aH-quinoline-4-carboxylate
CID 76845771

Frequently Asked Questions

What is the IUPAC name of propyl 2-oxo-4aH-quinoline-4-carboxylate?
The IUPAC name of propyl 2-oxo-4aH-quinoline-4-carboxylate (CID 78201725) is propyl 2-oxo-4aH-quinoline-4-carboxylate.
What is the SMILES notation for propyl 2-oxo-4aH-quinoline-4-carboxylate?
The canonical SMILES for propyl 2-oxo-4aH-quinoline-4-carboxylate is CCCOC(=O)C1=CC(=O)N=C2C=CC=CC12.
What is the InChIKey of propyl 2-oxo-4aH-quinoline-4-carboxylate?
The InChIKey is GDCGWIWUZGIOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-2-7-17-13(16)10-8-12(15)14-11-6-4-3-5-9(10)11/h3-6,8-9H,2,7H2,1H3.
What are the key properties of propyl 2-oxo-4aH-quinoline-4-carboxylate?
propyl 2-oxo-4aH-quinoline-4-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-oxo-4aH-quinoline-4-carboxylate is sourced from PubChem (CID 78201725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).