6-amino-2-methyl-1-quinolin-5-ylheptan-1-one

C17H22N2O — CID 116574294

IUPAC6-amino-2-methyl-1-quinolin-5-ylheptan-1-one
SMILESCC(N)CCCC(C)C(=O)c1cccc2ncccc12
InChIInChI=1S/C17H22N2O/c1-12(6-3-7-13(2)18)17(20)15-8-4-10-16-14(15)9-5-11-19-16/h4-5,8-13H,3,6-7,18H2,1-2H3
InChIKeyWQRNQDSDXPSCEX-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.57
Rot. Bonds6

About 6-amino-2-methyl-1-quinolin-5-ylheptan-1-one

6-amino-2-methyl-1-quinolin-5-ylheptan-1-one (PubChem CID 116574294) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 6-amino-2-methyl-1-quinolin-5-ylheptan-1-one.

Molecular Properties

Compound Name6-amino-2-methyl-1-quinolin-5-ylheptan-1-one
PubChem CID116574294
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name6-amino-2-methyl-1-quinolin-5-ylheptan-1-one
SMILESCC(N)CCCC(C)C(=O)c1cccc2ncccc12
InChIInChI=1S/C17H22N2O/c1-12(6-3-7-13(2)18)17(20)15-8-4-10-16-14(15)9-5-11-19-16/h4-5,8-13H,3,6-7,18H2,1-2H3
InChIKeyWQRNQDSDXPSCEX-UHFFFAOYSA-N
XLogP3.57
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-quinolin-5-ylhexan-1-one
CID 116610193
2-amino-4-methylsulfonyl-1-quinolin-5-ylbutan-1-one
CID 116552040
4-methoxy-2-methyl-1-quinolin-4-ylbutan-1-one
CID 105131611
2-amino-3-phenyl-1-quinolin-5-ylpropan-1-one
CID 116552536
2-ethoxy-1-quinolin-5-ylbutan-1-one
CID 116707471
6-amino-1-(2-methoxyphenyl)-2-methylheptan-1-one
CID 116574362
(2R)-2-amino-2-phenyl-1-quinolin-5-ylethanone
CID 104891139
3-amino-2-phenyl-1-quinolin-5-ylpropan-1-one
CID 116567063
N-(2-aminoethyl)-N-propan-2-ylquinoline-5-carboxamide
CID 55218818
N-(4-hydroxypentyl)quinoline-5-carboxamide
CID 107300441
2-phenyl-1-quinolin-5-ylbutan-1-one
CID 115789663
N-(1-aminobutan-2-yl)quinoline-5-carboxamide
CID 63755174

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-1-quinolin-5-ylheptan-1-one?
The IUPAC name of 6-amino-2-methyl-1-quinolin-5-ylheptan-1-one (CID 116574294) is 6-amino-2-methyl-1-quinolin-5-ylheptan-1-one.
What is the SMILES notation for 6-amino-2-methyl-1-quinolin-5-ylheptan-1-one?
The canonical SMILES for 6-amino-2-methyl-1-quinolin-5-ylheptan-1-one is CC(N)CCCC(C)C(=O)c1cccc2ncccc12.
What is the InChIKey of 6-amino-2-methyl-1-quinolin-5-ylheptan-1-one?
The InChIKey is WQRNQDSDXPSCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12(6-3-7-13(2)18)17(20)15-8-4-10-16-14(15)9-5-11-19-16/h4-5,8-13H,3,6-7,18H2,1-2H3.
What are the key properties of 6-amino-2-methyl-1-quinolin-5-ylheptan-1-one?
6-amino-2-methyl-1-quinolin-5-ylheptan-1-one has a molecular weight of 270.38 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-1-quinolin-5-ylheptan-1-one is sourced from PubChem (CID 116574294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).