7-(4-aminobutyl)-1-methyl-3,4-dihydroquinolin-2-one

C14H20N2O — CID 117336841

IUPAC7-(4-aminobutyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2ccc(CCCCN)cc21
InChIInChI=1S/C14H20N2O/c1-16-13-10-11(4-2-3-9-15)5-6-12(13)7-8-14(16)17/h5-6,10H,2-4,7-9,15H2,1H3
InChIKeyBRAXLIJGZNWWPF-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.88
Rot. Bonds4

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

7-(4-aminobutyl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 117336841) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 7-(4-aminobutyl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name7-(4-aminobutyl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID117336841
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name7-(4-aminobutyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2ccc(CCCCN)cc21
InChIInChI=1S/C14H20N2O/c1-16-13-10-11(4-2-3-9-15)5-6-12(13)7-8-14(16)17/h5-6,10H,2-4,7-9,15H2,1H3
InChIKeyBRAXLIJGZNWWPF-UHFFFAOYSA-N
XLogP1.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-[(1-hydroxycyclopropyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 117334528
1-methyl-2-oxo-3,4-dihydroquinoline-7-carboxamide
CID 175851007
1,7-dimethyl-3,4-dihydroquinolin-2-one
CID 54207242
1-(3-aminopropyl)-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 115197456
6-(4-aminobutylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 115200987
1-methyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde
CID 83483627
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanenitrile
CID 82471110
6-[(E)-5-aminopent-1-enyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 82294405
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
CID 82116153
7-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 117436405
6-[[(1-aminocyclopropyl)methylamino]methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 115256654
6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 115229304

Frequently Asked Questions

What is the IUPAC name of 7-(4-aminobutyl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 7-(4-aminobutyl)-1-methyl-3,4-dihydroquinolin-2-one (CID 117336841) is 7-(4-aminobutyl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 7-(4-aminobutyl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 7-(4-aminobutyl)-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2ccc(CCCCN)cc21.
What is the InChIKey of 7-(4-aminobutyl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is BRAXLIJGZNWWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16-13-10-11(4-2-3-9-15)5-6-12(13)7-8-14(16)17/h5-6,10H,2-4,7-9,15H2,1H3.
What are the key properties of 7-(4-aminobutyl)-1-methyl-3,4-dihydroquinolin-2-one?
7-(4-aminobutyl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 232.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-aminobutyl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 117336841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).