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

C14H20N2O2 — CID 115217584

IUPAC6-[(4-hydroxybutylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CNCCCCO)ccc2N1
InChIInChI=1S/C14H20N2O2/c17-8-2-1-7-15-10-11-3-5-13-12(9-11)4-6-14(18)16-13/h3,5,9,15,17H,1-2,4,6-8,10H2,(H,16,18)
InChIKeyFIGOZDGZCFJPMI-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.43
Rot. Bonds6

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

6-[(4-hydroxybutylamino)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 115217584) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-[(4-hydroxybutylamino)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(4-hydroxybutylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID115217584
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name6-[(4-hydroxybutylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CNCCCCO)ccc2N1
InChIInChI=1S/C14H20N2O2/c17-8-2-1-7-15-10-11-3-5-13-12(9-11)4-6-14(18)16-13/h3,5,9,15,17H,1-2,4,6-8,10H2,(H,16,18)
InChIKeyFIGOZDGZCFJPMI-UHFFFAOYSA-N
XLogP1.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(4-hydroxybutylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115217775
6-[(sulfanylmethylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115227915
3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]propanenitrile
CID 115230866
5-[(2-hydroxyethylamino)methyl]-1,3-dihydroindol-2-one
CID 82470284
6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115120551
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]acetonitrile
CID 115130975
4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 115218605
6-[2-(3-chloropropylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115215832
1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-propylurea
CID 110775002
6-[(propan-2-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82285548
2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
CID 82496063
1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
CID 110775001

Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxybutylamino)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(4-hydroxybutylamino)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 115217584) is 6-[(4-hydroxybutylamino)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(4-hydroxybutylamino)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(4-hydroxybutylamino)methyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(CNCCCCO)ccc2N1.
What is the InChIKey of 6-[(4-hydroxybutylamino)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FIGOZDGZCFJPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-8-2-1-7-15-10-11-3-5-13-12(9-11)4-6-14(18)16-13/h3,5,9,15,17H,1-2,4,6-8,10H2,(H,16,18).
What are the key properties of 6-[(4-hydroxybutylamino)methyl]-3,4-dihydro-1H-quinolin-2-one?
6-[(4-hydroxybutylamino)methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxybutylamino)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 115217584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).