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

C13H13NO4 — CID 945382

IUPAC(2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate
SMILESCOCC(=O)OCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C13H13NO4/c1-17-8-12(15)18-7-10-6-9-4-2-3-5-11(9)14-13(10)16/h2-6H,7-8H2,1H3,(H,14,16)
InChIKeyBCZBPPDTCHZGEP-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.22
Rot. Bonds4

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

(2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate (PubChem CID 945382) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is (2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate.

Molecular Properties

Compound Name(2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate
PubChem CID945382
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name(2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate
SMILESCOCC(=O)OCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C13H13NO4/c1-17-8-12(15)18-7-10-6-9-4-2-3-5-11(9)14-13(10)16/h2-6H,7-8H2,1H3,(H,14,16)
InChIKeyBCZBPPDTCHZGEP-UHFFFAOYSA-N
XLogP1.22
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-(2-methylphenyl)-6-oxopyran-3-carboxamide
CID 917461
Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 589276
Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 677051
[2-(2,5-Dimethylanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 2369102
(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
Ethyl 4-(hexylamino)-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 658207
Ethyl 2-oxo-4-(pentylamino)-1,2-dihydroquinoline-3-carboxylate
CID 658249
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate
CID 665140
[2-(2-Butan-2-ylanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 4384517
ethyl (E)-4-[2-[2-[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]phenyl]anilino]-4-oxobut-2-enoate
CID 5730500
1-O-ethyl 4-O-[2-(4-methylanilino)-2-oxoethyl] (E)-but-2-enedioate
CID 6370521

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate?
The IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate (CID 945382) is (2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate.
What is the SMILES notation for (2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate?
The canonical SMILES for (2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate is COCC(=O)OCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of (2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate?
The InChIKey is BCZBPPDTCHZGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-17-8-12(15)18-7-10-6-9-4-2-3-5-11(9)14-13(10)16/h2-6H,7-8H2,1H3,(H,14,16).
What are the key properties of (2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate?
(2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate has a molecular weight of 247.25 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate is sourced from PubChem (CID 945382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).