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

C12H11NO3 — CID 940702

IUPAC(2-oxo-1H-quinolin-3-yl)methyl acetate
SMILESCC(=O)OCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C12H11NO3/c1-8(14)16-7-10-6-9-4-2-3-5-11(9)13-12(10)15/h2-6H,7H2,1H3,(H,13,15)
InChIKeyOIBAGZWOPBPXNN-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.59
Rot. Bonds2

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

(2-oxo-1H-quinolin-3-yl)methyl acetate (PubChem CID 940702) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is (2-oxo-1H-quinolin-3-yl)methyl acetate.

Molecular Properties

Compound Name(2-oxo-1H-quinolin-3-yl)methyl acetate
PubChem CID940702
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name(2-oxo-1H-quinolin-3-yl)methyl acetate
SMILESCC(=O)OCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C12H11NO3/c1-8(14)16-7-10-6-9-4-2-3-5-11(9)13-12(10)15/h2-6H,7H2,1H3,(H,13,15)
InChIKeyOIBAGZWOPBPXNN-UHFFFAOYSA-N
XLogP1.59
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Quinolone-3-carboxylic acid
CID 332488
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
3-methylquinolin-2(1H)-one
CID 440987
2,4-dimethyl-N-(2-methylphenyl)-6-oxopyran-3-carboxamide
CID 917461
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
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate
CID 1399519
Methyl 4-amino-1-octyl-2-oxoquinoline-3-carboxylate
CID 1952833
[2-(2,5-Dimethylanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 2369102

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl acetate?
The IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl acetate (CID 940702) is (2-oxo-1H-quinolin-3-yl)methyl acetate.
What is the SMILES notation for (2-oxo-1H-quinolin-3-yl)methyl acetate?
The canonical SMILES for (2-oxo-1H-quinolin-3-yl)methyl acetate is CC(=O)OCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of (2-oxo-1H-quinolin-3-yl)methyl acetate?
The InChIKey is OIBAGZWOPBPXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-8(14)16-7-10-6-9-4-2-3-5-11(9)13-12(10)15/h2-6H,7H2,1H3,(H,13,15).
What are the key properties of (2-oxo-1H-quinolin-3-yl)methyl acetate?
(2-oxo-1H-quinolin-3-yl)methyl acetate has a molecular weight of 217.22 g/mol, XLogP of 1.59, 2 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 acetate is sourced from PubChem (CID 940702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).