3-(4-aminobutyl)-1,7-dimethylquinolin-2-one

C15H20N2O — CID 84631405

IUPAC3-(4-aminobutyl)-1,7-dimethylquinolin-2-one
SMILESCc1ccc2cc(CCCCN)c(=O)n(C)c2c1
InChIInChI=1S/C15H20N2O/c1-11-6-7-12-10-13(5-3-4-8-16)15(18)17(2)14(12)9-11/h6-7,9-10H,3-5,8,16H2,1-2H3
InChIKeyGLXSGWITBQCOHQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.13
Rot. Bonds4

About 3-(4-aminobutyl)-1,7-dimethylquinolin-2-one

3-(4-aminobutyl)-1,7-dimethylquinolin-2-one (PubChem CID 84631405) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(4-aminobutyl)-1,7-dimethylquinolin-2-one.

Molecular Properties

Compound Name3-(4-aminobutyl)-1,7-dimethylquinolin-2-one
PubChem CID84631405
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-(4-aminobutyl)-1,7-dimethylquinolin-2-one
SMILESCc1ccc2cc(CCCCN)c(=O)n(C)c2c1
InChIInChI=1S/C15H20N2O/c1-11-6-7-12-10-13(5-3-4-8-16)15(18)17(2)14(12)9-11/h6-7,9-10H,3-5,8,16H2,1-2H3
InChIKeyGLXSGWITBQCOHQ-UHFFFAOYSA-N
XLogP2.13
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminoethyl)-1,7-dimethylquinolin-2-one
CID 115029633
3-(hydroxymethyl)-1,7-dimethylquinolin-2-one
CID 18802191
3-(2-aminoethyl)-7-fluoro-1-methylquinolin-2-one
CID 115031918
3-(3-aminopropyl)-1-methyl-6-propan-2-ylquinolin-2-one
CID 84637230
12-(2,4-dimethylphenyl)dodecan-1-amine
CID 70565754
4-(2,6-dimethylquinolin-4-yl)butan-1-amine
CID 82577777
1-methyl-3-[(4-methylphenyl)methyl]quinolin-2-one
CID 166443267
3-(2-ethyl-5-methylphenyl)propan-1-amine
CID 117277653
N-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide
CID 110833567
3-(1,2,6-trimethylindol-3-yl)propan-1-amine
CID 82493187
2-(4-aminobutyl)-6-methylisoquinolin-1-one
CID 82063079
3-ethyl-7-methoxy-1-methylquinolin-2-one
CID 143543946

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminobutyl)-1,7-dimethylquinolin-2-one?
The IUPAC name of 3-(4-aminobutyl)-1,7-dimethylquinolin-2-one (CID 84631405) is 3-(4-aminobutyl)-1,7-dimethylquinolin-2-one.
What is the SMILES notation for 3-(4-aminobutyl)-1,7-dimethylquinolin-2-one?
The canonical SMILES for 3-(4-aminobutyl)-1,7-dimethylquinolin-2-one is Cc1ccc2cc(CCCCN)c(=O)n(C)c2c1.
What is the InChIKey of 3-(4-aminobutyl)-1,7-dimethylquinolin-2-one?
The InChIKey is GLXSGWITBQCOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-6-7-12-10-13(5-3-4-8-16)15(18)17(2)14(12)9-11/h6-7,9-10H,3-5,8,16H2,1-2H3.
What are the key properties of 3-(4-aminobutyl)-1,7-dimethylquinolin-2-one?
3-(4-aminobutyl)-1,7-dimethylquinolin-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobutyl)-1,7-dimethylquinolin-2-one is sourced from PubChem (CID 84631405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).