N-(4-amino-4-oxobutyl)-2,7-dimethylquinoline-3-carboxamide

C16H19N3O2 — CID 56812703

IUPACN-(4-amino-4-oxobutyl)-2,7-dimethylquinoline-3-carboxamide
SMILESCc1ccc2cc(C(=O)NCCCC(N)=O)c(C)nc2c1
InChIInChI=1S/C16H19N3O2/c1-10-5-6-12-9-13(11(2)19-14(12)8-10)16(21)18-7-3-4-15(17)20/h5-6,8-9H,3-4,7H2,1-2H3,(H2,17,20)(H,18,21)
InChIKeyNBXIAQJTKWTGLX-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.85
Rot. Bonds5

About N-(4-amino-4-oxobutyl)-2,7-dimethylquinoline-3-carboxamide

N-(4-amino-4-oxobutyl)-2,7-dimethylquinoline-3-carboxamide (PubChem CID 56812703) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(4-amino-4-oxobutyl)-2,7-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutyl)-2,7-dimethylquinoline-3-carboxamide
PubChem CID56812703
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(4-amino-4-oxobutyl)-2,7-dimethylquinoline-3-carboxamide
SMILESCc1ccc2cc(C(=O)NCCCC(N)=O)c(C)nc2c1
InChIInChI=1S/C16H19N3O2/c1-10-5-6-12-9-13(11(2)19-14(12)8-10)16(21)18-7-3-4-15(17)20/h5-6,8-9H,3-4,7H2,1-2H3,(H2,17,20)(H,18,21)
InChIKeyNBXIAQJTKWTGLX-UHFFFAOYSA-N
XLogP1.85
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-2,7-dimethylquinoline-3-carboxamide
CID 78870006
2,7-dimethyl-N-[3-(1-phenylethoxy)propyl]quinoline-3-carboxamide
CID 55651536
7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide
CID 55868189
7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide
CID 46532107
N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78854787
N-hexyl-2-methylquinoline-3-carboxamide
CID 110489615
N-[(3-hydroxycyclohexyl)methyl]-2,7-dimethylquinoline-3-carboxamide
CID 111459728
N-[[4-(difluoromethoxy)phenyl]methyl]-2,7-dimethylquinoline-3-carboxamide
CID 38797474
N-(4-amino-4-oxobutyl)-2-(3-aminoprop-1-ynyl)-5-methylbenzamide
CID 81112724
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2,7-dimethylquinoline-3-carboxamide
CID 47031660
N-(3-benzylsulfonylpropyl)-2,6-dimethylquinoline-3-carboxamide
CID 55841810
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,6-dimethylquinoline-3-carboxamide
CID 111429581

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutyl)-2,7-dimethylquinoline-3-carboxamide?
The IUPAC name of N-(4-amino-4-oxobutyl)-2,7-dimethylquinoline-3-carboxamide (CID 56812703) is N-(4-amino-4-oxobutyl)-2,7-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-(4-amino-4-oxobutyl)-2,7-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-(4-amino-4-oxobutyl)-2,7-dimethylquinoline-3-carboxamide is Cc1ccc2cc(C(=O)NCCCC(N)=O)c(C)nc2c1.
What is the InChIKey of N-(4-amino-4-oxobutyl)-2,7-dimethylquinoline-3-carboxamide?
The InChIKey is NBXIAQJTKWTGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-5-6-12-9-13(11(2)19-14(12)8-10)16(21)18-7-3-4-15(17)20/h5-6,8-9H,3-4,7H2,1-2H3,(H2,17,20)(H,18,21).
What are the key properties of N-(4-amino-4-oxobutyl)-2,7-dimethylquinoline-3-carboxamide?
N-(4-amino-4-oxobutyl)-2,7-dimethylquinoline-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutyl)-2,7-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 56812703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).