6-(4-aminobutylamino)-1-methyl-3,4-dihydroquinolin-2-one

C14H21N3O — CID 115200987

IUPAC6-(4-aminobutylamino)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(NCCCCN)ccc21
InChIInChI=1S/C14H21N3O/c1-17-13-6-5-12(16-9-3-2-8-15)10-11(13)4-7-14(17)18/h5-6,10,16H,2-4,7-9,15H2,1H3
InChIKeyCGDNQWOUXAGFQV-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.75
Rot. Bonds5

About 6-(4-aminobutylamino)-1-methyl-3,4-dihydroquinolin-2-one

6-(4-aminobutylamino)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 115200987) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 6-(4-aminobutylamino)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(4-aminobutylamino)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID115200987
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name6-(4-aminobutylamino)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(NCCCCN)ccc21
InChIInChI=1S/C14H21N3O/c1-17-13-6-5-12(16-9-3-2-8-15)10-11(13)4-7-14(17)18/h5-6,10,16H,2-4,7-9,15H2,1H3
InChIKeyCGDNQWOUXAGFQV-UHFFFAOYSA-N
XLogP1.75
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.75
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

6-[(1-amino-2-methylpropan-2-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 115131631
5-[(1-methyl-2-oxo-3H-indol-5-yl)amino]pentanoic acid
CID 115218869
6-[(E)-5-aminopent-1-enyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 82294405
3-amino-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide
CID 115180262
1-[[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]methyl]cyclobutane-1-carbonitrile
CID 115245023
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide
CID 16820558
1-methyl-5-(2-morpholin-4-ylethylamino)-3H-indol-2-one
CID 98033832
6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116932774
7-(4-aminobutyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117336841
1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376046
N'-(2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine
CID 59229873
6-(2-amino-1,1-difluoro-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116839401

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminobutylamino)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(4-aminobutylamino)-1-methyl-3,4-dihydroquinolin-2-one (CID 115200987) is 6-(4-aminobutylamino)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(4-aminobutylamino)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(4-aminobutylamino)-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(NCCCCN)ccc21.
What is the InChIKey of 6-(4-aminobutylamino)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is CGDNQWOUXAGFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17-13-6-5-12(16-9-3-2-8-15)10-11(13)4-7-14(17)18/h5-6,10,16H,2-4,7-9,15H2,1H3.
What are the key properties of 6-(4-aminobutylamino)-1-methyl-3,4-dihydroquinolin-2-one?
6-(4-aminobutylamino)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminobutylamino)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 115200987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).