7-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one

C17H26N2O — CID 119783373

IUPAC7-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one
SMILESCc1ccc2c(c1)N(C(=O)CCCCCCN)CCC2
InChIInChI=1S/C17H26N2O/c1-14-9-10-15-7-6-12-19(16(15)13-14)17(20)8-4-2-3-5-11-18/h9-10,13H,2-8,11-12,18H2,1H3
InChIKeySTUSRZDIDWOPPI-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.18
Rot. Bonds6

About 7-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one

7-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one (PubChem CID 119783373) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 7-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one.

Molecular Properties

Compound Name7-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one
PubChem CID119783373
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name7-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one
SMILESCc1ccc2c(c1)N(C(=O)CCCCCCN)CCC2
InChIInChI=1S/C17H26N2O/c1-14-9-10-15-7-6-12-19(16(15)13-14)17(20)8-4-2-3-5-11-18/h9-10,13H,2-8,11-12,18H2,1H3
InChIKeySTUSRZDIDWOPPI-UHFFFAOYSA-N
XLogP3.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one with MolForge

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Related Compounds

1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 78776221
2-amino-1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 131036223
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentyl]urea
CID 60598985
6-amino-4,4-dimethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-1-one
CID 65293253
3-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one
CID 119951464
4-amino-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butan-1-one;hydrochloride
CID 119294298
7-amino-1-(5-bromo-2,3-dihydroindol-1-yl)heptan-1-one;hydrochloride
CID 119706831
1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 82260070
4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride
CID 119286836
4-amino-1-(7-fluoro-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 167922199
7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide
CID 119747288

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one?
The IUPAC name of 7-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one (CID 119783373) is 7-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one.
What is the SMILES notation for 7-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one?
The canonical SMILES for 7-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one is Cc1ccc2c(c1)N(C(=O)CCCCCCN)CCC2.
What is the InChIKey of 7-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one?
The InChIKey is STUSRZDIDWOPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-9-10-15-7-6-12-19(16(15)13-14)17(20)8-4-2-3-5-11-18/h9-10,13H,2-8,11-12,18H2,1H3.
What are the key properties of 7-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one?
7-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one has a molecular weight of 274.41 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one is sourced from PubChem (CID 119783373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).