5-amino-5-methyl-1-quinolin-2-ylhexan-2-one

C16H20N2O — CID 116571510

IUPAC5-amino-5-methyl-1-quinolin-2-ylhexan-2-one
SMILESCC(C)(N)CCC(=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C16H20N2O/c1-16(2,17)10-9-14(19)11-13-8-7-12-5-3-4-6-15(12)18-13/h3-8H,9-11,17H2,1-2H3
InChIKeyFZXQWIJSGWCQAS-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.86
Rot. Bonds5

About 5-amino-5-methyl-1-quinolin-2-ylhexan-2-one

5-amino-5-methyl-1-quinolin-2-ylhexan-2-one (PubChem CID 116571510) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-amino-5-methyl-1-quinolin-2-ylhexan-2-one.

Molecular Properties

Compound Name5-amino-5-methyl-1-quinolin-2-ylhexan-2-one
PubChem CID116571510
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name5-amino-5-methyl-1-quinolin-2-ylhexan-2-one
SMILESCC(C)(N)CCC(=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C16H20N2O/c1-16(2,17)10-9-14(19)11-13-8-7-12-5-3-4-6-15(12)18-13/h3-8H,9-11,17H2,1-2H3
InChIKeyFZXQWIJSGWCQAS-UHFFFAOYSA-N
XLogP2.86
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-quinolin-2-ylpentan-2-one
CID 28935199
4-methoxy-1-quinolin-2-ylbutan-2-one
CID 43139081
8-amino-1-quinolin-2-yloctan-2-one
CID 116551634
3-amino-4,4,4-trifluoro-3-methyl-1-quinolin-2-ylbutan-2-one
CID 116593146
3-amino-3-cyclopropyl-1-quinolin-2-ylbutan-2-one
CID 116558652
3,3-dimethyl-1-quinolin-2-ylpentan-2-one
CID 55103254
1-(2-amino-1,3-thiazol-4-yl)-3-quinolin-2-ylpropan-2-one
CID 116575844
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
4-(2,2-difluoroethoxy)-1-quinolin-2-ylbutan-2-one
CID 103147109
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 5-amino-5-methyl-1-quinolin-2-ylhexan-2-one?
The IUPAC name of 5-amino-5-methyl-1-quinolin-2-ylhexan-2-one (CID 116571510) is 5-amino-5-methyl-1-quinolin-2-ylhexan-2-one.
What is the SMILES notation for 5-amino-5-methyl-1-quinolin-2-ylhexan-2-one?
The canonical SMILES for 5-amino-5-methyl-1-quinolin-2-ylhexan-2-one is CC(C)(N)CCC(=O)Cc1ccc2ccccc2n1.
What is the InChIKey of 5-amino-5-methyl-1-quinolin-2-ylhexan-2-one?
The InChIKey is FZXQWIJSGWCQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-16(2,17)10-9-14(19)11-13-8-7-12-5-3-4-6-15(12)18-13/h3-8H,9-11,17H2,1-2H3.
What are the key properties of 5-amino-5-methyl-1-quinolin-2-ylhexan-2-one?
5-amino-5-methyl-1-quinolin-2-ylhexan-2-one has a molecular weight of 256.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-methyl-1-quinolin-2-ylhexan-2-one is sourced from PubChem (CID 116571510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).