6-[2-(4-hydroxybutylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one

C15H22N2O2 — CID 115217775

IUPAC6-[2-(4-hydroxybutylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CCNCCCCO)ccc2N1
InChIInChI=1S/C15H22N2O2/c18-10-2-1-8-16-9-7-12-3-5-14-13(11-12)4-6-15(19)17-14/h3,5,11,16,18H,1-2,4,6-10H2,(H,17,19)
InChIKeyMLLVZSHZAISUEJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.48
Rot. Bonds7

About 6-[2-(4-hydroxybutylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one

6-[2-(4-hydroxybutylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 115217775) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-[2-(4-hydroxybutylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(4-hydroxybutylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID115217775
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-[2-(4-hydroxybutylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CCNCCCCO)ccc2N1
InChIInChI=1S/C15H22N2O2/c18-10-2-1-8-16-9-7-12-3-5-14-13(11-12)4-6-15(19)17-14/h3,5,11,16,18H,1-2,4,6-10H2,(H,17,19)
InChIKeyMLLVZSHZAISUEJ-UHFFFAOYSA-N
XLogP1.48
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[2-(4-hydroxybutylamino)ethyl]-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

6-[(4-hydroxybutylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115217584
6-[2-(3-chloropropylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115215832
6-[2-[(2-amino-3-hydroxypropyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115120823
6-[2-(azetidin-3-ylmethylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115207782
6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82282846
3-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]propan-1-ol
CID 82256860
5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115229299
7-(4-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one
CID 129209031
2-oxo-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 115175903
N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropanecarboxamide
CID 110788608
6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82283516
6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one
CID 18382037

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-hydroxybutylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(4-hydroxybutylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one (CID 115217775) is 6-[2-(4-hydroxybutylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(4-hydroxybutylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(4-hydroxybutylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(CCNCCCCO)ccc2N1.
What is the InChIKey of 6-[2-(4-hydroxybutylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MLLVZSHZAISUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-10-2-1-8-16-9-7-12-3-5-14-13(11-12)4-6-15(19)17-14/h3,5,11,16,18H,1-2,4,6-10H2,(H,17,19).
What are the key properties of 6-[2-(4-hydroxybutylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(4-hydroxybutylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-hydroxybutylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 115217775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).