(6-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate

C16H17NO4 — CID 665140

IUPAC(6-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate
SMILESCc1ccc2[nH]c(=O)c(COC(=O)C3CCCO3)cc2c1
InChIInChI=1S/C16H17NO4/c1-10-4-5-13-11(7-10)8-12(15(18)17-13)9-21-16(19)14-3-2-6-20-14/h4-5,7-8,14H,2-3,6,9H2,1H3,(H,17,18)
InChIKeyGYMYOIQBEXTWIP-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.06
Rot. Bonds3

About (6-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate

(6-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate (PubChem CID 665140) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is (6-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate.

Molecular Properties

Compound Name(6-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate
PubChem CID665140
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name(6-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate
SMILESCc1ccc2[nH]c(=O)c(COC(=O)C3CCCO3)cc2c1
InChIInChI=1S/C16H17NO4/c1-10-4-5-13-11(7-10)8-12(15(18)17-13)9-21-16(19)14-3-2-6-20-14/h4-5,7-8,14H,2-3,6,9H2,1H3,(H,17,18)
InChIKeyGYMYOIQBEXTWIP-UHFFFAOYSA-N
XLogP2.06
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate
CID 1399519
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate
CID 664543
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate
CID 945916
[2-Oxo-2-(2,4,6-trimethylanilino)ethyl] oxolane-2-carboxylate
CID 16279660
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate
CID 664764
(7-Methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl tetrahydrofuran-2-carboxylate
CID 4919858
(2-Oxo-1,2-dihydroquinolin-3-yl)methyl tetrahydrofuran-2-carboxylate
CID 665765
[4-Oxo-4-(2,4,6-trimethylanilino)butyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2103225
N-(2,4-dimethylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 20861406
[1-(2-Methylanilino)-1-oxopropan-2-yl] oxolane-2-carboxylate
CID 42903463
3-Quinolinecarboxylic acid, 1,2-dihydro-6-methyl-2-oxo-, ethyl ester
CID 132605368
Ethyl 5-(2,4-dimethylphenylcarbamoyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylate
CID 138377156

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate?
The IUPAC name of (6-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate (CID 665140) is (6-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate.
What is the SMILES notation for (6-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate?
The canonical SMILES for (6-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate is Cc1ccc2[nH]c(=O)c(COC(=O)C3CCCO3)cc2c1.
What is the InChIKey of (6-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate?
The InChIKey is GYMYOIQBEXTWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-10-4-5-13-11(7-10)8-12(15(18)17-13)9-21-16(19)14-3-2-6-20-14/h4-5,7-8,14H,2-3,6,9H2,1H3,(H,17,18).
What are the key properties of (6-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate?
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate has a molecular weight of 287.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate is sourced from PubChem (CID 665140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).