[2-(methylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate

C17H14N2O4 — CID 4875638

IUPAC[2-(methylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESCNC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C17H14N2O4/c1-18-16(20)10-23-17(21)12-9-14(15-7-4-8-22-15)19-13-6-3-2-5-11(12)13/h2-9H,10H2,1H3,(H,18,20)
InChIKeyPCOMOZFNQLODPV-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.40
Rot. Bonds4

About [2-(methylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate

[2-(methylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 4875638) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID4875638
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name[2-(methylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESCNC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C17H14N2O4/c1-18-16(20)10-23-17(21)12-9-14(15-7-4-8-22-15)19-13-6-3-2-5-11(12)13/h2-9H,10H2,1H3,(H,18,20)
InChIKeyPCOMOZFNQLODPV-UHFFFAOYSA-N
XLogP2.40
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methylfuran-2-yl)-N-(4-methylphenyl)quinoline-4-carboxamide
CID 868700
2-(Furan-2-yl)quinoline-4-carboxylic acid
CID 697640
2-(furan-2-yl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 903397
Methyl 1-(2-(furan-2-yl)quinoline-4-carbonyl)piperidine-4-carboxylate
CID 2420130
6-Bromo-2-(2-furanyl)-4-quinolinecarboxylic acid
CID 686152
1-(4-(2-(5-Methylfuran-2-yl)quinoline-4-carbonyl)piperazin-1-yl)ethan-1-one
CID 24980435
2-(5-Methylfuran-2-yl)quinoline-4-carboxylic acid
CID 693021
2-[(E)-[[2-(2-furyl)quinoline-4-carbonyl]hydrazono]methyl]benzoic acid
CID 6906548
6-fluoro-N-(2-furylmethyl)-2-methyl-4-quinolinecarboxamide
CID 826914
2-(3,4-dimethoxyphenyl)-N-(2-furylmethyl)-4-quinolinecarboxamide
CID 1009671
[2-[(4-Methoxyphenyl)methylamino]-2-oxoethyl] quinoline-2-carboxylate
CID 2347318
(2-Amino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2372589

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate (CID 4875638) is [2-(methylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate is CNC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is PCOMOZFNQLODPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-18-16(20)10-23-17(21)12-9-14(15-7-4-8-22-15)19-13-6-3-2-5-11(12)13/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of [2-(methylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
[2-(methylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 310.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 4875638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).