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

C16H17NO4 — CID 664764

IUPAC(8-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate
SMILESCc1cccc2cc(COC(=O)C3CCCO3)c(=O)[nH]c12
InChIInChI=1S/C16H17NO4/c1-10-4-2-5-11-8-12(15(18)17-14(10)11)9-21-16(19)13-6-3-7-20-13/h2,4-5,8,13H,3,6-7,9H2,1H3,(H,17,18)
InChIKeyOIGUSYVQYLDHDD-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.06
Rot. Bonds3

About (8-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate

(8-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate (PubChem CID 664764) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is (8-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate.

Molecular Properties

Compound Name(8-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate
PubChem CID664764
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name(8-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate
SMILESCc1cccc2cc(COC(=O)C3CCCO3)c(=O)[nH]c12
InChIInChI=1S/C16H17NO4/c1-10-4-2-5-11-8-12(15(18)17-14(10)11)9-21-16(19)13-6-3-7-20-13/h2,4-5,8,13H,3,6-7,9H2,1H3,(H,17,18)
InChIKeyOIGUSYVQYLDHDD-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

(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate
CID 945916
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate
CID 665140
[2-Oxo-2-(2,4,6-trimethylanilino)ethyl] oxolane-2-carboxylate
CID 16279660
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl propanoate
CID 663849
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate
CID 664889
(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
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate
CID 663615
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate
CID 663763
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate
CID 664123
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 3-methylbutanoate
CID 944568
(2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate
CID 945382

Frequently Asked Questions

What is the IUPAC name of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate?
The IUPAC name of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate (CID 664764) is (8-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate.
What is the SMILES notation for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate?
The canonical SMILES for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate is Cc1cccc2cc(COC(=O)C3CCCO3)c(=O)[nH]c12.
What is the InChIKey of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate?
The InChIKey is OIGUSYVQYLDHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-10-4-2-5-11-8-12(15(18)17-14(10)11)9-21-16(19)13-6-3-7-20-13/h2,4-5,8,13H,3,6-7,9H2,1H3,(H,17,18).
What are the key properties of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate?
(8-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 (8-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate is sourced from PubChem (CID 664764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).