(2-oxo-1H-quinolin-3-yl)methyl butanoate

C14H15NO3 — CID 940888

IUPAC(2-oxo-1H-quinolin-3-yl)methyl butanoate
SMILESCCCC(=O)OCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C14H15NO3/c1-2-5-13(16)18-9-11-8-10-6-3-4-7-12(10)15-14(11)17/h3-4,6-8H,2,5,9H2,1H3,(H,15,17)
InChIKeyVBYSMOLPDIGHED-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.37
Rot. Bonds4

About (2-oxo-1H-quinolin-3-yl)methyl butanoate

(2-oxo-1H-quinolin-3-yl)methyl butanoate (PubChem CID 940888) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2-oxo-1H-quinolin-3-yl)methyl butanoate.

Molecular Properties

Compound Name(2-oxo-1H-quinolin-3-yl)methyl butanoate
PubChem CID940888
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name(2-oxo-1H-quinolin-3-yl)methyl butanoate
SMILESCCCC(=O)OCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C14H15NO3/c1-2-5-13(16)18-9-11-8-10-6-3-4-7-12(10)15-14(11)17/h3-4,6-8H,2,5,9H2,1H3,(H,15,17)
InChIKeyVBYSMOLPDIGHED-UHFFFAOYSA-N
XLogP2.37
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Ethoxycarbonyl-2-quinolone
CID 160782
3-Quinolinecarboxylic acid, 1,2-dihydro-4-chloro-1-methyl-2-oxo-, ethyl ester
CID 606180
Ethyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 54684458
2-Quinolone-3-carboxylic acid
CID 332488
3-methylquinolin-2(1H)-one
CID 440987
Methyl 3-methyl-2-oxo-1,2-dihydro-4-quinolinecarboxylate
CID 751540
2,4-dimethyl-N-(2-methylphenyl)-6-oxopyran-3-carboxamide
CID 917461
(2-Oxo-1,2-dihydroquinolin-3-yl)methyl benzoate
CID 664207
4-(3-Methylbut-2-enoxy)quinolin-2-ol
CID 21770009
4-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-, methyl ester
CID 181636
Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 589276
Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 677051

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl butanoate?
The IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl butanoate (CID 940888) is (2-oxo-1H-quinolin-3-yl)methyl butanoate.
What is the SMILES notation for (2-oxo-1H-quinolin-3-yl)methyl butanoate?
The canonical SMILES for (2-oxo-1H-quinolin-3-yl)methyl butanoate is CCCC(=O)OCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of (2-oxo-1H-quinolin-3-yl)methyl butanoate?
The InChIKey is VBYSMOLPDIGHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-2-5-13(16)18-9-11-8-10-6-3-4-7-12(10)15-14(11)17/h3-4,6-8H,2,5,9H2,1H3,(H,15,17).
What are the key properties of (2-oxo-1H-quinolin-3-yl)methyl butanoate?
(2-oxo-1H-quinolin-3-yl)methyl butanoate has a molecular weight of 245.28 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-quinolin-3-yl)methyl butanoate is sourced from PubChem (CID 940888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).