N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride

C16H24ClN3O3 — CID 119501892

IUPACN-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
SMILESCNCCNC(=O)CCCOc1ccc2c(c1)CCC(=O)N2.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-17-8-9-18-15(20)3-2-10-22-13-5-6-14-12(11-13)4-7-16(21)19-14;/h5-6,11,17H,2-4,7-10H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyHMLMENILRWTERR-UHFFFAOYSA-N
MW341.84 g/mol
LogP1.49
Rot. Bonds8

About N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride

N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride (PubChem CID 119501892) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
PubChem CID119501892
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC NameN-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
SMILESCNCCNC(=O)CCCOc1ccc2c(c1)CCC(=O)N2.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-17-8-9-18-15(20)3-2-10-22-13-5-6-14-12(11-13)4-7-16(21)19-14;/h5-6,11,17H,2-4,7-10H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyHMLMENILRWTERR-UHFFFAOYSA-N
XLogP1.49
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pentanehydrazide
CID 63576665
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]butanamide
CID 55970686
N-(5-amino-2-methylphenyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 120568933
N-(3-imidazol-1-ylpropyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 78852316
3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
CID 119221434
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119512002
3-(4-tert-butylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]propanamide
CID 78891707
methyl N-[4-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]methyl]phenyl]carbamate
CID 55963525
N-[(3-bromophenyl)methyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55596350
2-methyl-5-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]methyl]furan-3-carboxylic acid
CID 119226895

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride (CID 119501892) is N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride is CNCCNC(=O)CCCOc1ccc2c(c1)CCC(=O)N2.Cl.
What is the InChIKey of N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride?
The InChIKey is HMLMENILRWTERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-17-8-9-18-15(20)3-2-10-22-13-5-6-14-12(11-13)4-7-16(21)19-14;/h5-6,11,17H,2-4,7-10H2,1H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride?
N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 1.49, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride is sourced from PubChem (CID 119501892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).