8-(4-aminobutyl)-6-chloro-3,4-dihydro-1H-quinolin-2-one

C13H17ClN2O — CID 82190820

IUPAC8-(4-aminobutyl)-6-chloro-3,4-dihydro-1H-quinolin-2-one
SMILESNCCCCc1cc(Cl)cc2c1NC(=O)CC2
InChIInChI=1S/C13H17ClN2O/c14-11-7-9(3-1-2-6-15)13-10(8-11)4-5-12(17)16-13/h7-8H,1-6,15H2,(H,16,17)
InChIKeyBFKFZVYFGSTXQE-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.51
Rot. Bonds4

About 8-(4-aminobutyl)-6-chloro-3,4-dihydro-1H-quinolin-2-one

8-(4-aminobutyl)-6-chloro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82190820) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 8-(4-aminobutyl)-6-chloro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-(4-aminobutyl)-6-chloro-3,4-dihydro-1H-quinolin-2-one
PubChem CID82190820
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name8-(4-aminobutyl)-6-chloro-3,4-dihydro-1H-quinolin-2-one
SMILESNCCCCc1cc(Cl)cc2c1NC(=O)CC2
InChIInChI=1S/C13H17ClN2O/c14-11-7-9(3-1-2-6-15)13-10(8-11)4-5-12(17)16-13/h7-8H,1-6,15H2,(H,16,17)
InChIKeyBFKFZVYFGSTXQE-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-(4-aminobutyl)-6-chloro-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(4-aminobutyl)-5-chloro-1,3-dihydroindol-2-one
CID 82190651
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
4-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)butan-1-amine
CID 117352257
7-(2-aminoethyl)-5-methyl-1,3-dihydroindol-2-one
CID 82190531
8-chloro-6-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 14268518
6-chloro-8-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174232
5-(2-aminoethyl)-6-chloro-7-methyl-1,3-dihydroindol-2-one
CID 82190727
7-[(E)-3-aminoprop-1-enyl]-5-chloro-1,3-dihydroindol-2-one
CID 117318863
8-ethyl-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174002
pentan-1-amine;pyrrolidine-2,5-dione
CID 122669383
6-[2-(aminomethyl)-4-chlorophenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 62493675
6-(2-aminopropyl)-8-chloro-3,4-dihydro-1H-quinolin-2-one
CID 82190791

Frequently Asked Questions

What is the IUPAC name of 8-(4-aminobutyl)-6-chloro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-(4-aminobutyl)-6-chloro-3,4-dihydro-1H-quinolin-2-one (CID 82190820) is 8-(4-aminobutyl)-6-chloro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-(4-aminobutyl)-6-chloro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-(4-aminobutyl)-6-chloro-3,4-dihydro-1H-quinolin-2-one is NCCCCc1cc(Cl)cc2c1NC(=O)CC2.
What is the InChIKey of 8-(4-aminobutyl)-6-chloro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BFKFZVYFGSTXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-11-7-9(3-1-2-6-15)13-10(8-11)4-5-12(17)16-13/h7-8H,1-6,15H2,(H,16,17).
What are the key properties of 8-(4-aminobutyl)-6-chloro-3,4-dihydro-1H-quinolin-2-one?
8-(4-aminobutyl)-6-chloro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 252.74 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-aminobutyl)-6-chloro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82190820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).