[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate

C20H24N2O4 — CID 55473337

IUPAC[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate
SMILESC=C(C)CN(CC)C(=O)COC(=O)c1cc2ccc(OC)cc2nc1C
InChIInChI=1S/C20H24N2O4/c1-6-22(11-13(2)3)19(23)12-26-20(24)17-9-15-7-8-16(25-5)10-18(15)21-14(17)4/h7-10H,2,6,11-12H2,1,3-5H3
InChIKeyUOUJAYOTMNOLHZ-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.13
Rot. Bonds7

About [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate

[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate (PubChem CID 55473337) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate.

Molecular Properties

Compound Name[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate
PubChem CID55473337
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate
SMILESC=C(C)CN(CC)C(=O)COC(=O)c1cc2ccc(OC)cc2nc1C
InChIInChI=1S/C20H24N2O4/c1-6-22(11-13(2)3)19(23)12-26-20(24)17-9-15-7-8-16(25-5)10-18(15)21-14(17)4/h7-10H,2,6,11-12H2,1,3-5H3
InChIKeyUOUJAYOTMNOLHZ-UHFFFAOYSA-N
XLogP3.13
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,6-dimethylquinoline-3-carboxylate
CID 55473548
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
CID 37235447
[2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate
CID 16576188
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
CID 46538497
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 55473455
3-[ethyl-(7-methoxy-2-methylquinoline-3-carbonyl)amino]propanoic acid
CID 120516810
N-ethoxy-7-methoxy-2-methylquinoline-3-carboxamide
CID 18169112
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate
CID 55471451
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate
CID 18147585
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 18077413
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 55314057
pyridin-2-ylmethyl 7-methoxy-2-methylquinoline-3-carboxylate
CID 18139891

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate?
The IUPAC name of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate (CID 55473337) is [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate.
What is the SMILES notation for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate?
The canonical SMILES for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate is C=C(C)CN(CC)C(=O)COC(=O)c1cc2ccc(OC)cc2nc1C.
What is the InChIKey of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate?
The InChIKey is UOUJAYOTMNOLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-6-22(11-13(2)3)19(23)12-26-20(24)17-9-15-7-8-16(25-5)10-18(15)21-14(17)4/h7-10H,2,6,11-12H2,1,3-5H3.
What are the key properties of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate?
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate has a molecular weight of 356.42 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate is sourced from PubChem (CID 55473337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).