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

C16H17NO4 — CID 4919858

IUPAC(7-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate
SMILESCc1ccc2cc(COC(=O)C3CCCO3)c(=O)[nH]c2c1
InChIInChI=1S/C16H17NO4/c1-10-4-5-11-8-12(15(18)17-13(11)7-10)9-21-16(19)14-3-2-6-20-14/h4-5,7-8,14H,2-3,6,9H2,1H3,(H,17,18)
InChIKeyNCBYBSLPLFTLLP-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.06
Rot. Bonds3

About (7-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate

(7-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate (PubChem CID 4919858) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is (7-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate.

Molecular Properties

Compound Name(7-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate
PubChem CID4919858
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name(7-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate
SMILESCc1ccc2cc(COC(=O)C3CCCO3)c(=O)[nH]c2c1
InChIInChI=1S/C16H17NO4/c1-10-4-5-11-8-12(15(18)17-13(11)7-10)9-21-16(19)14-3-2-6-20-14/h4-5,7-8,14H,2-3,6,9H2,1H3,(H,17,18)
InChIKeyNCBYBSLPLFTLLP-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

CID 646662
CID 646662
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate
CID 665140
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate
CID 664764
(2-Oxo-1,2-dihydroquinolin-3-yl)methyl tetrahydrofuran-2-carboxylate
CID 665765
N~4~-(2,5-dimethylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 20861405
[1-(2-Methylanilino)-1-oxopropan-2-yl] oxolane-2-carboxylate
CID 42903463
(7-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate
CID 943392
(2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate
CID 945382
(7-methyl-2-oxo-1H-quinolin-3-yl)methyl 3-methylbutanoate
CID 945408
(7-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate
CID 947564
[2-amino-2-oxo-1-(2-oxo-1H-quinolin-3-yl)ethyl] acetate
CID 70202517
(2-ethoxy-2-oxoethyl) 2-oxo-1H-quinoline-3-carboxylate
CID 150002820

Frequently Asked Questions

What is the IUPAC name of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate?
The IUPAC name of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate (CID 4919858) is (7-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate.
What is the SMILES notation for (7-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate?
The canonical SMILES for (7-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate is Cc1ccc2cc(COC(=O)C3CCCO3)c(=O)[nH]c2c1.
What is the InChIKey of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate?
The InChIKey is NCBYBSLPLFTLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-10-4-5-11-8-12(15(18)17-13(11)7-10)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 (7-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate?
(7-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 (7-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate is sourced from PubChem (CID 4919858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).