ethyl N-[4-methyl-1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]pentan-2-yl]carbamate

C22H33N3O5 — CID 55673887

IUPACethyl N-[4-methyl-1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]pentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)CCCOc1ccc2c(c1)CCC(=O)N2)CC(C)C
InChIInChI=1S/C22H33N3O5/c1-4-29-22(28)24-17(12-15(2)3)14-23-20(26)6-5-11-30-18-8-9-19-16(13-18)7-10-21(27)25-19/h8-9,13,15,17H,4-7,10-12,14H2,1-3H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyFNCBAKKINJMPCR-UHFFFAOYSA-N
MW419.52 g/mol
LogP3.01
Rot. Bonds11

About ethyl N-[4-methyl-1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]pentan-2-yl]carbamate

ethyl N-[4-methyl-1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]pentan-2-yl]carbamate (PubChem CID 55673887) has the molecular formula C22H33N3O5 and a molecular weight of 419.52 g/mol. Its IUPAC name is ethyl N-[4-methyl-1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]pentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-methyl-1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]pentan-2-yl]carbamate
PubChem CID55673887
Molecular FormulaC22H33N3O5
Molecular Weight419.52 g/mol
Exact Mass419.24
IUPAC Nameethyl N-[4-methyl-1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]pentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)CCCOc1ccc2c(c1)CCC(=O)N2)CC(C)C
InChIInChI=1S/C22H33N3O5/c1-4-29-22(28)24-17(12-15(2)3)14-23-20(26)6-5-11-30-18-8-9-19-16(13-18)7-10-21(27)25-19/h8-9,13,15,17H,4-7,10-12,14H2,1-3H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyFNCBAKKINJMPCR-UHFFFAOYSA-N
XLogP3.01
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl N-[4-methyl-1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]pentan-2-yl]carbamate with MolForge

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Related Compounds

N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 119501892
3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
CID 119221434
N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849
N-[2-(diethylamino)-3-phenylpropyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55932562
5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pentanehydrazide
CID 63576665
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
CID 119199653
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55678506
N-(5-amino-2-methylphenyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 120568933
methyl N-[4-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]methyl]phenyl]carbamate
CID 55963525
6-[4-[4-(4-methylpentanoyl)piperazin-1-yl]-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 55922389
N-(2-amino-1-cyclopropylethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 119615003

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-methyl-1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]pentan-2-yl]carbamate?
The IUPAC name of ethyl N-[4-methyl-1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]pentan-2-yl]carbamate (CID 55673887) is ethyl N-[4-methyl-1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]pentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[4-methyl-1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]pentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[4-methyl-1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]pentan-2-yl]carbamate is CCOC(=O)NC(CNC(=O)CCCOc1ccc2c(c1)CCC(=O)N2)CC(C)C.
What is the InChIKey of ethyl N-[4-methyl-1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]pentan-2-yl]carbamate?
The InChIKey is FNCBAKKINJMPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O5/c1-4-29-22(28)24-17(12-15(2)3)14-23-20(26)6-5-11-30-18-8-9-19-16(13-18)7-10-21(27)25-19/h8-9,13,15,17H,4-7,10-12,14H2,1-3H3,(H,23,26)(H,24,28)(H,25,27).
What are the key properties of ethyl N-[4-methyl-1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]pentan-2-yl]carbamate?
ethyl N-[4-methyl-1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]pentan-2-yl]carbamate has a molecular weight of 419.52 g/mol, XLogP of 3.01, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-methyl-1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]pentan-2-yl]carbamate is sourced from PubChem (CID 55673887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).