6-amino-1-(2-methylquinolin-6-yl)hexan-1-one

C16H20N2O — CID 116549997

IUPAC6-amino-1-(2-methylquinolin-6-yl)hexan-1-one
SMILESCc1ccc2cc(C(=O)CCCCCN)ccc2n1
InChIInChI=1S/C16H20N2O/c1-12-6-7-13-11-14(8-9-15(13)18-12)16(19)5-3-2-4-10-17/h6-9,11H,2-5,10,17H2,1H3
InChIKeyDKNCBJHDTMDPIR-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.25
Rot. Bonds6

About 6-amino-1-(2-methylquinolin-6-yl)hexan-1-one

6-amino-1-(2-methylquinolin-6-yl)hexan-1-one (PubChem CID 116549997) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-amino-1-(2-methylquinolin-6-yl)hexan-1-one.

Molecular Properties

Compound Name6-amino-1-(2-methylquinolin-6-yl)hexan-1-one
PubChem CID116549997
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name6-amino-1-(2-methylquinolin-6-yl)hexan-1-one
SMILESCc1ccc2cc(C(=O)CCCCCN)ccc2n1
InChIInChI=1S/C16H20N2O/c1-12-6-7-13-11-14(8-9-15(13)18-12)16(19)5-3-2-4-10-17/h6-9,11H,2-5,10,17H2,1H3
InChIKeyDKNCBJHDTMDPIR-UHFFFAOYSA-N
XLogP3.25
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.25
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

5-amino-1-quinolin-6-ylpentan-1-one
CID 116572003
4-amino-3-methyl-1-(2-methylquinolin-6-yl)butan-1-one
CID 116596565
7-amino-1-(3,4-dimethylphenyl)heptan-1-one
CID 116551492
3-(furan-2-yl)-1-(2-methylquinolin-6-yl)propan-1-one
CID 105121476
[1-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone
CID 116600622
7-amino-1-(3-chloro-4-methylphenyl)heptan-1-one
CID 107561224
2-cyclobutyl-1-(2-methylquinolin-6-yl)ethanone
CID 103168015
2-(1-aminocyclohexyl)-1-(2-methylquinolin-6-yl)ethanone
CID 116578986
1-(2-methylquinolin-6-yl)-3-pyridin-3-ylpropan-1-one
CID 105121412
2-amino-1-(2-methylquinolin-6-yl)propan-1-one
CID 116551720
6-amino-1-(3-ethylphenyl)hexan-1-one
CID 116550033
[4-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone
CID 116592386

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methylquinolin-6-yl)hexan-1-one?
The IUPAC name of 6-amino-1-(2-methylquinolin-6-yl)hexan-1-one (CID 116549997) is 6-amino-1-(2-methylquinolin-6-yl)hexan-1-one.
What is the SMILES notation for 6-amino-1-(2-methylquinolin-6-yl)hexan-1-one?
The canonical SMILES for 6-amino-1-(2-methylquinolin-6-yl)hexan-1-one is Cc1ccc2cc(C(=O)CCCCCN)ccc2n1.
What is the InChIKey of 6-amino-1-(2-methylquinolin-6-yl)hexan-1-one?
The InChIKey is DKNCBJHDTMDPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-6-7-13-11-14(8-9-15(13)18-12)16(19)5-3-2-4-10-17/h6-9,11H,2-5,10,17H2,1H3.
What are the key properties of 6-amino-1-(2-methylquinolin-6-yl)hexan-1-one?
6-amino-1-(2-methylquinolin-6-yl)hexan-1-one has a molecular weight of 256.35 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methylquinolin-6-yl)hexan-1-one is sourced from PubChem (CID 116549997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).