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

C14H22N2O — CID 70599518

IUPAC8-(pentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCCCCCNC1CCCc2ccc(=O)[nH]c21
InChIInChI=1S/C14H22N2O/c1-2-3-4-10-15-12-7-5-6-11-8-9-13(17)16-14(11)12/h8-9,12,15H,2-7,10H2,1H3,(H,16,17)
InChIKeyALUVGBVCHMYXAH-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.53
Rot. Bonds5

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

8-(pentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 70599518) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 8-(pentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-(pentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID70599518
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name8-(pentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCCCCCNC1CCCc2ccc(=O)[nH]c21
InChIInChI=1S/C14H22N2O/c1-2-3-4-10-15-12-7-5-6-11-8-9-13(17)16-14(11)12/h8-9,12,15H,2-7,10H2,1H3,(H,16,17)
InChIKeyALUVGBVCHMYXAH-UHFFFAOYSA-N
XLogP2.53
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 8-(pentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 8-(pentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 70599518) is 8-(pentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 8-(pentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 8-(pentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is CCCCCNC1CCCc2ccc(=O)[nH]c21.
What is the InChIKey of 8-(pentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is ALUVGBVCHMYXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-3-4-10-15-12-7-5-6-11-8-9-13(17)16-14(11)12/h8-9,12,15H,2-7,10H2,1H3,(H,16,17).
What are the key properties of 8-(pentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
8-(pentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 234.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 70599518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).