[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate

C19H18N2O4 — CID 18144482

IUPAC[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
SMILESCOCc1nc2ccccc2c(C)c1C(=O)OCC(=O)c1ccc[nH]1
InChIInChI=1S/C19H18N2O4/c1-12-13-6-3-4-7-14(13)21-16(10-24-2)18(12)19(23)25-11-17(22)15-8-5-9-20-15/h3-9,20H,10-11H2,1-2H3
InChIKeyVMYZOCFWSVCQMU-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.06
Rot. Bonds6

About [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate (PubChem CID 18144482) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
PubChem CID18144482
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
SMILESCOCc1nc2ccccc2c(C)c1C(=O)OCC(=O)c1ccc[nH]1
InChIInChI=1S/C19H18N2O4/c1-12-13-6-3-4-7-14(13)21-16(10-24-2)18(12)19(23)25-11-17(22)15-8-5-9-20-15/h3-9,20H,10-11H2,1-2H3
InChIKeyVMYZOCFWSVCQMU-UHFFFAOYSA-N
XLogP3.06
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(methylamino)-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 18149529
[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 18144453
benzyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 18144423
[2-(N-methylanilino)-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 18144426
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 30344284
[(E)-but-2-enyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 55563291
[(E)-3-phenylprop-2-enyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 46511818
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 30688281
3-cyanopropyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 46574583
[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 55536995
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 30237867
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 55506897

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate?
The IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate (CID 18144482) is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate?
The canonical SMILES for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate is COCc1nc2ccccc2c(C)c1C(=O)OCC(=O)c1ccc[nH]1.
What is the InChIKey of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate?
The InChIKey is VMYZOCFWSVCQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12-13-6-3-4-7-14(13)21-16(10-24-2)18(12)19(23)25-11-17(22)15-8-5-9-20-15/h3-9,20H,10-11H2,1-2H3.
What are the key properties of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate?
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate is sourced from PubChem (CID 18144482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).