1-(5-hydroxypentyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one

C15H24N2O2 — CID 81104211

IUPAC1-(5-hydroxypentyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCNC1CCCc2c1ccc(=O)n2CCCCCO
InChIInChI=1S/C15H24N2O2/c1-16-13-6-5-7-14-12(13)8-9-15(19)17(14)10-3-2-4-11-18/h8-9,13,16,18H,2-7,10-11H2,1H3
InChIKeyDKUFDTRSEJTXMY-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.61
Rot. Bonds6

About 1-(5-hydroxypentyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one

1-(5-hydroxypentyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 81104211) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(5-hydroxypentyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-(5-hydroxypentyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID81104211
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(5-hydroxypentyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCNC1CCCc2c1ccc(=O)n2CCCCCO
InChIInChI=1S/C15H24N2O2/c1-16-13-6-5-7-14-12(13)8-9-15(19)17(14)10-3-2-4-11-18/h8-9,13,16,18H,2-7,10-11H2,1H3
InChIKeyDKUFDTRSEJTXMY-UHFFFAOYSA-N
XLogP1.61
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 104860400
CID 104860400
CID 67611384
CID 67611384
CID 70892612
CID 70892612
CID 134458887
CID 134458887
CID 13463811
CID 13463811
CID 16392290
CID 16392290
CID 51471037
CID 51471037
CID 51471038
CID 51471038
CID 81104145
CID 81104145
CID 81104281
CID 81104281
CID 81104284
CID 81104284
CID 81104285
CID 81104285

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxypentyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-(5-hydroxypentyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one (CID 81104211) is 1-(5-hydroxypentyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-(5-hydroxypentyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-(5-hydroxypentyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one is CNC1CCCc2c1ccc(=O)n2CCCCCO.
What is the InChIKey of 1-(5-hydroxypentyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is DKUFDTRSEJTXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-16-13-6-5-7-14-12(13)8-9-15(19)17(14)10-3-2-4-11-18/h8-9,13,16,18H,2-7,10-11H2,1H3.
What are the key properties of 1-(5-hydroxypentyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one?
1-(5-hydroxypentyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxypentyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 81104211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).