[2-(cyclopropylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate

C18H20N2O3 — CID 5028859

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OCC(=O)NC2CC2)c1C
InChIInChI=1S/C18H20N2O3/c1-3-14-11(2)17(13-6-4-5-7-15(13)20-14)18(22)23-10-16(21)19-12-8-9-12/h4-7,12H,3,8-10H2,1-2H3,(H,19,21)
InChIKeyFLPFNDVDPNETFX-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.54
Rot. Bonds5

About [2-(cyclopropylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate

[2-(cyclopropylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate (PubChem CID 5028859) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
PubChem CID5028859
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OCC(=O)NC2CC2)c1C
InChIInChI=1S/C18H20N2O3/c1-3-14-11(2)17(13-6-4-5-7-15(13)20-14)18(22)23-10-16(21)19-12-8-9-12/h4-7,12H,3,8-10H2,1-2H3,(H,19,21)
InChIKeyFLPFNDVDPNETFX-UHFFFAOYSA-N
XLogP2.54
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

SB 218795
CID 6604858
(1-Butylpiperidin-4-yl)methyl 2-cyclopropylquinoline-4-carboxylate
CID 145988201
[2-(4-Ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2084031
[2-(Ethylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2089511
[2-(N-methylanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2417563
[2-Oxo-2-(propan-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate
CID 2427239
(2-Oxo-2-piperidin-1-ylethyl) quinoline-2-carboxylate
CID 2454583
[2-oxo-2-(prop-2-enylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 3442697
[2-(methylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 3498238
[2-(Cyclopropylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 3652497
(2-amino-2-oxoethyl) 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 3937699
[2-(2-methylpropylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 4025382

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate (CID 5028859) is [2-(cyclopropylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate is CCc1nc2ccccc2c(C(=O)OCC(=O)NC2CC2)c1C.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The InChIKey is FLPFNDVDPNETFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-14-11(2)17(13-6-4-5-7-15(13)20-14)18(22)23-10-16(21)19-12-8-9-12/h4-7,12H,3,8-10H2,1-2H3,(H,19,21).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
[2-(cyclopropylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate is sourced from PubChem (CID 5028859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).