propyl 2-methyl-4-oxo-1H-quinoline-6-carboxylate

C14H15NO3 — CID 7109613

IUPACpropyl 2-methyl-4-oxo-1H-quinoline-6-carboxylate
SMILESCCCOC(=O)c1ccc2[nH]c(C)cc(=O)c2c1
InChIInChI=1S/C14H15NO3/c1-3-6-18-14(17)10-4-5-12-11(8-10)13(16)7-9(2)15-12/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)
InChIKeyHATVSCMLERZKPT-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.40
Rot. Bonds3

About propyl 2-methyl-4-oxo-1H-quinoline-6-carboxylate

propyl 2-methyl-4-oxo-1H-quinoline-6-carboxylate (PubChem CID 7109613) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is propyl 2-methyl-4-oxo-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Namepropyl 2-methyl-4-oxo-1H-quinoline-6-carboxylate
PubChem CID7109613
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namepropyl 2-methyl-4-oxo-1H-quinoline-6-carboxylate
SMILESCCCOC(=O)c1ccc2[nH]c(C)cc(=O)c2c1
InChIInChI=1S/C14H15NO3/c1-3-6-18-14(17)10-4-5-12-11(8-10)13(16)7-9(2)15-12/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)
InChIKeyHATVSCMLERZKPT-UHFFFAOYSA-N
XLogP2.40
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-O-ethyl 5-O-propyl 3-formyl-1H-indole-2,5-dicarboxylate
CID 82214170
ethyl 2-(4-hydroxyphenyl)-4-oxo-1H-quinoline-6-carboxylate
CID 155209399
ethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate
CID 7453721
ethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 927791
ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylate
CID 155209376
propyl 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate
CID 4220962
ethyl 5,8-dimethyl-9H-carbazole-3-carboxylate
CID 165353814
diethyl 6-propyl-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
CID 22025388
N-(4-chlorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide
CID 29204953
N-(3,5-difluorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide
CID 39849554
2-tert-butyl-6-propoxy-1H-quinolin-4-one
CID 55059882
propyl 4-fluoro-3-sulfanylbenzoate
CID 107018147

Frequently Asked Questions

What is the IUPAC name of propyl 2-methyl-4-oxo-1H-quinoline-6-carboxylate?
The IUPAC name of propyl 2-methyl-4-oxo-1H-quinoline-6-carboxylate (CID 7109613) is propyl 2-methyl-4-oxo-1H-quinoline-6-carboxylate.
What is the SMILES notation for propyl 2-methyl-4-oxo-1H-quinoline-6-carboxylate?
The canonical SMILES for propyl 2-methyl-4-oxo-1H-quinoline-6-carboxylate is CCCOC(=O)c1ccc2[nH]c(C)cc(=O)c2c1.
What is the InChIKey of propyl 2-methyl-4-oxo-1H-quinoline-6-carboxylate?
The InChIKey is HATVSCMLERZKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-6-18-14(17)10-4-5-12-11(8-10)13(16)7-9(2)15-12/h4-5,7-8H,3,6H2,1-2H3,(H,15,16).
What are the key properties of propyl 2-methyl-4-oxo-1H-quinoline-6-carboxylate?
propyl 2-methyl-4-oxo-1H-quinoline-6-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-methyl-4-oxo-1H-quinoline-6-carboxylate is sourced from PubChem (CID 7109613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).