5-(5-hydroxypentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

C14H22N2O2 — CID 67611384

IUPAC5-(5-hydroxypentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NCCCCCO
InChIInChI=1S/C14H22N2O2/c17-10-3-1-2-9-15-12-5-4-6-13-11(12)7-8-14(18)16-13/h7-8,12,15,17H,1-6,9-10H2,(H,16,18)
InChIKeyAHBOWYRLPRLQII-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.50
Rot. Bonds6

About 5-(5-hydroxypentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-(5-hydroxypentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 67611384) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-(5-hydroxypentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(5-hydroxypentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID67611384
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-(5-hydroxypentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NCCCCCO
InChIInChI=1S/C14H22N2O2/c17-10-3-1-2-9-15-12-5-4-6-13-11(12)7-8-14(18)16-13/h7-8,12,15,17H,1-6,9-10H2,(H,16,18)
InChIKeyAHBOWYRLPRLQII-UHFFFAOYSA-N
XLogP1.50
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.50
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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Frequently Asked Questions

What is the IUPAC name of 5-(5-hydroxypentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-(5-hydroxypentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 67611384) is 5-(5-hydroxypentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(5-hydroxypentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-(5-hydroxypentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1ccc2c([nH]1)CCCC2NCCCCCO.
What is the InChIKey of 5-(5-hydroxypentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is AHBOWYRLPRLQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c17-10-3-1-2-9-15-12-5-4-6-13-11(12)7-8-14(18)16-13/h7-8,12,15,17H,1-6,9-10H2,(H,16,18).
What are the key properties of 5-(5-hydroxypentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-(5-hydroxypentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 250.34 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-hydroxypentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 67611384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).