ethyl 4-[(4-methylfuro[3,2-c]quinoline-2-carbonyl)amino]piperidine-1-carboxylate

C21H23N3O4 — CID 5309684

IUPACethyl 4-[(4-methylfuro[3,2-c]quinoline-2-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc3c(C)nc4ccccc4c3o2)CC1
InChIInChI=1S/C21H23N3O4/c1-3-27-21(26)24-10-8-14(9-11-24)23-20(25)18-12-16-13(2)22-17-7-5-4-6-15(17)19(16)28-18/h4-7,12,14H,3,8-11H2,1-2H3,(H,23,25)
InChIKeyHALJFHTXBFOFAW-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.64
Rot. Bonds3

About ethyl 4-[(4-methylfuro[3,2-c]quinoline-2-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(4-methylfuro[3,2-c]quinoline-2-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 5309684) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is ethyl 4-[(4-methylfuro[3,2-c]quinoline-2-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-methylfuro[3,2-c]quinoline-2-carbonyl)amino]piperidine-1-carboxylate
PubChem CID5309684
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Nameethyl 4-[(4-methylfuro[3,2-c]quinoline-2-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc3c(C)nc4ccccc4c3o2)CC1
InChIInChI=1S/C21H23N3O4/c1-3-27-21(26)24-10-8-14(9-11-24)23-20(25)18-12-16-13(2)22-17-7-5-4-6-15(17)19(16)28-18/h4-7,12,14H,3,8-11H2,1-2H3,(H,23,25)
InChIKeyHALJFHTXBFOFAW-UHFFFAOYSA-N
XLogP3.64
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate
CID 31843225
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[(7-methylfuro[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate
CID 45106120
ethyl 4-[(4-oxo-3,1-benzoxazin-2-yl)amino]piperidine-1-carboxylate
CID 72702552
ethyl 4-[[3-(4-methylphenyl)cinnoline-4-carbonyl]amino]piperidine-1-carboxylate
CID 46287929
ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[[2-(benzylamino)-6-methylpyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109327101
(4-benzylpiperazin-1-yl)-(4-methylfuro[3,2-c]quinolin-2-yl)methanone
CID 20868547
ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate
CID 42477818
ethyl 4-[(4-anilinopyridine-2-carbonyl)amino]piperidine-1-carboxylate
CID 109215840
ethyl 4-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]piperidine-1-carboxylate
CID 18230812

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-methylfuro[3,2-c]quinoline-2-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-methylfuro[3,2-c]quinoline-2-carbonyl)amino]piperidine-1-carboxylate (CID 5309684) is ethyl 4-[(4-methylfuro[3,2-c]quinoline-2-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-methylfuro[3,2-c]quinoline-2-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-methylfuro[3,2-c]quinoline-2-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cc3c(C)nc4ccccc4c3o2)CC1.
What is the InChIKey of ethyl 4-[(4-methylfuro[3,2-c]quinoline-2-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is HALJFHTXBFOFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-3-27-21(26)24-10-8-14(9-11-24)23-20(25)18-12-16-13(2)22-17-7-5-4-6-15(17)19(16)28-18/h4-7,12,14H,3,8-11H2,1-2H3,(H,23,25).
What are the key properties of ethyl 4-[(4-methylfuro[3,2-c]quinoline-2-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(4-methylfuro[3,2-c]quinoline-2-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 381.43 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-methylfuro[3,2-c]quinoline-2-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 5309684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).