ethyl 4-[(6-fluoro-4-methoxy-8-methylquinoline-2-carbonyl)amino]piperidine-1-carboxylate

C20H24FN3O4 — CID 71824056

IUPACethyl 4-[(6-fluoro-4-methoxy-8-methylquinoline-2-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(OC)c3cc(F)cc(C)c3n2)CC1
InChIInChI=1S/C20H24FN3O4/c1-4-28-20(26)24-7-5-14(6-8-24)22-19(25)16-11-17(27-3)15-10-13(21)9-12(2)18(15)23-16/h9-11,14H,4-8H2,1-3H3,(H,22,25)
InChIKeyJAKOBXRYJMLKMJ-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.04
Rot. Bonds4

About ethyl 4-[(6-fluoro-4-methoxy-8-methylquinoline-2-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(6-fluoro-4-methoxy-8-methylquinoline-2-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 71824056) has the molecular formula C20H24FN3O4 and a molecular weight of 389.43 g/mol. Its IUPAC name is ethyl 4-[(6-fluoro-4-methoxy-8-methylquinoline-2-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(6-fluoro-4-methoxy-8-methylquinoline-2-carbonyl)amino]piperidine-1-carboxylate
PubChem CID71824056
Molecular FormulaC20H24FN3O4
Molecular Weight389.43 g/mol
Exact Mass389.18
IUPAC Nameethyl 4-[(6-fluoro-4-methoxy-8-methylquinoline-2-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(OC)c3cc(F)cc(C)c3n2)CC1
InChIInChI=1S/C20H24FN3O4/c1-4-28-20(26)24-7-5-14(6-8-24)22-19(25)16-11-17(27-3)15-10-13(21)9-12(2)18(15)23-16/h9-11,14H,4-8H2,1-3H3,(H,22,25)
InChIKeyJAKOBXRYJMLKMJ-UHFFFAOYSA-N
XLogP3.04
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(4-methoxy-2,5-dimethylbenzoyl)amino]piperidine-1-carboxylate
CID 110761607
ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179
ethyl 4-[[6-(butylamino)-2-methylpyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109361602
ethyl 4-[[6-(cyclohexylamino)-2-methylpyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109363822
ethyl 4-[(4-methoxythiophene-3-carbonyl)amino]piperidine-1-carboxylate
CID 23995478
ethyl 4-[(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate
CID 136832042
ethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate
CID 110762169
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
butyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559323
ethyl 4-[[6-methyl-2-(prop-2-enylamino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109320089
ethyl 4-[[4-(2-methoxyethylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109205889
ethyl 4-[[5-(3,4-dimethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109194066

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-fluoro-4-methoxy-8-methylquinoline-2-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(6-fluoro-4-methoxy-8-methylquinoline-2-carbonyl)amino]piperidine-1-carboxylate (CID 71824056) is ethyl 4-[(6-fluoro-4-methoxy-8-methylquinoline-2-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(6-fluoro-4-methoxy-8-methylquinoline-2-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(6-fluoro-4-methoxy-8-methylquinoline-2-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cc(OC)c3cc(F)cc(C)c3n2)CC1.
What is the InChIKey of ethyl 4-[(6-fluoro-4-methoxy-8-methylquinoline-2-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is JAKOBXRYJMLKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4/c1-4-28-20(26)24-7-5-14(6-8-24)22-19(25)16-11-17(27-3)15-10-13(21)9-12(2)18(15)23-16/h9-11,14H,4-8H2,1-3H3,(H,22,25).
What are the key properties of ethyl 4-[(6-fluoro-4-methoxy-8-methylquinoline-2-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(6-fluoro-4-methoxy-8-methylquinoline-2-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 389.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-fluoro-4-methoxy-8-methylquinoline-2-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 71824056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).