N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylquinoline-4-carboxamide

C18H23N3O3 — CID 51098155

IUPACN-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylquinoline-4-carboxamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C18H23N3O3/c1-13-11-15(14-7-4-5-8-16(14)20-13)18(23)21(2)12-17(22)19-9-6-10-24-3/h4-5,7-8,11H,6,9-10,12H2,1-3H3,(H,19,22)
InChIKeyFZZAMIQIAVZDHB-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.77
Rot. Bonds7

About N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylquinoline-4-carboxamide

N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylquinoline-4-carboxamide (PubChem CID 51098155) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylquinoline-4-carboxamide
PubChem CID51098155
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylquinoline-4-carboxamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C18H23N3O3/c1-13-11-15(14-7-4-5-8-16(14)20-13)18(23)21(2)12-17(22)19-9-6-10-24-3/h4-5,7-8,11H,6,9-10,12H2,1-3H3,(H,19,22)
InChIKeyFZZAMIQIAVZDHB-UHFFFAOYSA-N
XLogP1.77
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51307796
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide
CID 51095007
N,2-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 134005837
2,3-difluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 105380806
N-(5-iodopentyl)-2-methylquinoline-4-carboxamide
CID 107322663
N-(2-methoxyethyl)-N,2,7-trimethylquinoline-4-carboxamide
CID 46984652
3-bromo-2-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 106547925
2-(ethylamino)-N-(2-methoxyethyl)-N-methylquinoline-4-carboxamide
CID 62178126
3-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
CID 82829175
2-methoxy-1-(2-methylquinolin-4-yl)ethanone
CID 105115074
methyl 2-iodo-3-[(2-methylquinoline-4-carbonyl)amino]propanoate
CID 103493219
3-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 51307897

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylquinoline-4-carboxamide?
The IUPAC name of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylquinoline-4-carboxamide (CID 51098155) is N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylquinoline-4-carboxamide is COCCCNC(=O)CN(C)C(=O)c1cc(C)nc2ccccc12.
What is the InChIKey of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylquinoline-4-carboxamide?
The InChIKey is FZZAMIQIAVZDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-11-15(14-7-4-5-8-16(14)20-13)18(23)21(2)12-17(22)19-9-6-10-24-3/h4-5,7-8,11H,6,9-10,12H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylquinoline-4-carboxamide?
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylquinoline-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 51098155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).