8-amino-1-quinolin-2-yloctan-2-one

C17H22N2O — CID 116551634

IUPAC8-amino-1-quinolin-2-yloctan-2-one
SMILESNCCCCCCC(=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C17H22N2O/c18-12-6-2-1-3-8-16(20)13-15-11-10-14-7-4-5-9-17(14)19-15/h4-5,7,9-11H,1-3,6,8,12-13,18H2
InChIKeyKRLRWWFFVHUGER-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.26
Rot. Bonds8

About 8-amino-1-quinolin-2-yloctan-2-one

8-amino-1-quinolin-2-yloctan-2-one (PubChem CID 116551634) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 8-amino-1-quinolin-2-yloctan-2-one.

Molecular Properties

Compound Name8-amino-1-quinolin-2-yloctan-2-one
PubChem CID116551634
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name8-amino-1-quinolin-2-yloctan-2-one
SMILESNCCCCCCC(=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C17H22N2O/c18-12-6-2-1-3-8-16(20)13-15-11-10-14-7-4-5-9-17(14)19-15/h4-5,7,9-11H,1-3,6,8,12-13,18H2
InChIKeyKRLRWWFFVHUGER-UHFFFAOYSA-N
XLogP3.26
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-quinolin-2-ylpentan-2-one
CID 28935199
5-amino-5-methyl-1-quinolin-2-ylhexan-2-one
CID 116571510
4-methoxy-1-quinolin-2-ylbutan-2-one
CID 43139081
N-(2-aminoethyl)-2-quinolin-2-ylacetamide
CID 110464134
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
1-(2-amino-1,3-thiazol-4-yl)-3-quinolin-2-ylpropan-2-one
CID 116575844
4-(2,2-difluoroethoxy)-1-quinolin-2-ylbutan-2-one
CID 103147109
6-amino-1-phenylhexan-2-one
CID 57063081
1-[4-(aminomethyl)phenyl]-2-quinolin-2-ylethanone
CID 116548351
4-amino-3-methyl-1-quinolin-2-ylbutan-2-one
CID 116564666
1-(1-aminocyclobutyl)-3-quinolin-2-ylpropan-2-one
CID 116591404
1,2-di(quinolin-2-yl)ethanone
CID 24973307

Frequently Asked Questions

What is the IUPAC name of 8-amino-1-quinolin-2-yloctan-2-one?
The IUPAC name of 8-amino-1-quinolin-2-yloctan-2-one (CID 116551634) is 8-amino-1-quinolin-2-yloctan-2-one.
What is the SMILES notation for 8-amino-1-quinolin-2-yloctan-2-one?
The canonical SMILES for 8-amino-1-quinolin-2-yloctan-2-one is NCCCCCCC(=O)Cc1ccc2ccccc2n1.
What is the InChIKey of 8-amino-1-quinolin-2-yloctan-2-one?
The InChIKey is KRLRWWFFVHUGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c18-12-6-2-1-3-8-16(20)13-15-11-10-14-7-4-5-9-17(14)19-15/h4-5,7,9-11H,1-3,6,8,12-13,18H2.
What are the key properties of 8-amino-1-quinolin-2-yloctan-2-one?
8-amino-1-quinolin-2-yloctan-2-one has a molecular weight of 270.38 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-quinolin-2-yloctan-2-one is sourced from PubChem (CID 116551634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).