2-amino-N-(3-methoxypropyl)-1-methyl-4-oxoquinoline-3-carboxamide

C15H19N3O3 — CID 7463347

IUPAC2-amino-N-(3-methoxypropyl)-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCOCCCNC(=O)c1c(N)n(C)c2ccccc2c1=O
InChIInChI=1S/C15H19N3O3/c1-18-11-7-4-3-6-10(11)13(19)12(14(18)16)15(20)17-8-5-9-21-2/h3-4,6-7H,5,8-9,16H2,1-2H3,(H,17,20)
InChIKeyJOLGYSDITDCOKC-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.89
Rot. Bonds5

About 2-amino-N-(3-methoxypropyl)-1-methyl-4-oxoquinoline-3-carboxamide

2-amino-N-(3-methoxypropyl)-1-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 7463347) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-amino-N-(3-methoxypropyl)-1-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-methoxypropyl)-1-methyl-4-oxoquinoline-3-carboxamide
PubChem CID7463347
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-amino-N-(3-methoxypropyl)-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCOCCCNC(=O)c1c(N)n(C)c2ccccc2c1=O
InChIInChI=1S/C15H19N3O3/c1-18-11-7-4-3-6-10(11)13(19)12(14(18)16)15(20)17-8-5-9-21-2/h3-4,6-7H,5,8-9,16H2,1-2H3,(H,17,20)
InChIKeyJOLGYSDITDCOKC-UHFFFAOYSA-N
XLogP0.89
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-1,3-dimethylindole-2-carboxamide
CID 113204340
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
3-hydroxy-1-methyl-2-oxo-N-[3-(4-phenylphenoxy)propyl]quinoline-4-carboxamide
CID 90355060
3-hydroxy-1-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoquinoline-4-carboxamide
CID 90355439
2-amino-1-methyl-3-(piperidine-1-carbonyl)quinolin-4-one
CID 13143651
1-acetyl-N-(3-methoxypropyl)indole-3-carboxamide
CID 113207832
2-amino-N-(3-methoxypropyl)-6-methylbenzamide
CID 43153249
4-[3-[(3-hydroxy-1-methyl-2-oxoquinoline-4-carbonyl)amino]propoxy]benzoic acid
CID 118289789
N-(3-methoxypropyl)-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
CID 20893916
methyl 1-(3-methoxypropyl)indazole-3-carboxylate
CID 68501253
5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide
CID 82547322
N-(3-methoxypropyl)-2-sulfamoylbenzamide
CID 43164716

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methoxypropyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 2-amino-N-(3-methoxypropyl)-1-methyl-4-oxoquinoline-3-carboxamide (CID 7463347) is 2-amino-N-(3-methoxypropyl)-1-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 2-amino-N-(3-methoxypropyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 2-amino-N-(3-methoxypropyl)-1-methyl-4-oxoquinoline-3-carboxamide is COCCCNC(=O)c1c(N)n(C)c2ccccc2c1=O.
What is the InChIKey of 2-amino-N-(3-methoxypropyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is JOLGYSDITDCOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-18-11-7-4-3-6-10(11)13(19)12(14(18)16)15(20)17-8-5-9-21-2/h3-4,6-7H,5,8-9,16H2,1-2H3,(H,17,20).
What are the key properties of 2-amino-N-(3-methoxypropyl)-1-methyl-4-oxoquinoline-3-carboxamide?
2-amino-N-(3-methoxypropyl)-1-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methoxypropyl)-1-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 7463347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).