5-amino-1-quinolin-5-ylhexan-1-one

C15H18N2O — CID 116610193

IUPAC5-amino-1-quinolin-5-ylhexan-1-one
SMILESCC(N)CCCC(=O)c1cccc2ncccc12
InChIInChI=1S/C15H18N2O/c1-11(16)5-2-9-15(18)13-6-3-8-14-12(13)7-4-10-17-14/h3-4,6-8,10-11H,2,5,9,16H2,1H3
InChIKeyQCTHLVZWOGOJTA-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.93
Rot. Bonds5

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

5-amino-1-quinolin-5-ylhexan-1-one (PubChem CID 116610193) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-amino-1-quinolin-5-ylhexan-1-one.

Molecular Properties

Compound Name5-amino-1-quinolin-5-ylhexan-1-one
PubChem CID116610193
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name5-amino-1-quinolin-5-ylhexan-1-one
SMILESCC(N)CCCC(=O)c1cccc2ncccc12
InChIInChI=1S/C15H18N2O/c1-11(16)5-2-9-15(18)13-6-3-8-14-12(13)7-4-10-17-14/h3-4,6-8,10-11H,2,5,9,16H2,1H3
InChIKeyQCTHLVZWOGOJTA-UHFFFAOYSA-N
XLogP2.93
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-2-methyl-1-quinolin-5-ylheptan-1-one
CID 116574294
1-quinolin-5-ylhexan-1-one
CID 115789824
2-amino-4-methylsulfonyl-1-quinolin-5-ylbutan-1-one
CID 116552040
3-ethyl-1-quinolin-5-ylheptan-1-one
CID 105082043
4-amino-1-naphthalen-1-ylpentan-1-one
CID 116571827
3-methyl-1-quinolin-5-ylbut-3-en-1-one
CID 105112604
1-quinolin-5-ylbut-3-yn-1-one
CID 105076404
1-quinolin-4-yldecan-1-one
CID 105086389
N-(4-hydroxypentyl)quinoline-5-carboxamide
CID 107300441
3,3,3-trifluoro-1-quinolin-5-ylpropan-1-one
CID 81220780
2-amino-3-phenyl-1-quinolin-5-ylpropan-1-one
CID 116552536
2-(4-aminophenyl)-1-quinolin-5-ylethanone
CID 116549569

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-quinolin-5-ylhexan-1-one?
The IUPAC name of 5-amino-1-quinolin-5-ylhexan-1-one (CID 116610193) is 5-amino-1-quinolin-5-ylhexan-1-one.
What is the SMILES notation for 5-amino-1-quinolin-5-ylhexan-1-one?
The canonical SMILES for 5-amino-1-quinolin-5-ylhexan-1-one is CC(N)CCCC(=O)c1cccc2ncccc12.
What is the InChIKey of 5-amino-1-quinolin-5-ylhexan-1-one?
The InChIKey is QCTHLVZWOGOJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11(16)5-2-9-15(18)13-6-3-8-14-12(13)7-4-10-17-14/h3-4,6-8,10-11H,2,5,9,16H2,1H3.
What are the key properties of 5-amino-1-quinolin-5-ylhexan-1-one?
5-amino-1-quinolin-5-ylhexan-1-one has a molecular weight of 242.32 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-quinolin-5-ylhexan-1-one is sourced from PubChem (CID 116610193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).