1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one

C15H22N2O — CID 82705400

IUPAC1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)N1CCCc2c(N)cccc21
InChIInChI=1S/C15H22N2O/c1-3-6-11(2)15(18)17-10-5-7-12-13(16)8-4-9-14(12)17/h4,8-9,11H,3,5-7,10,16H2,1-2H3
InChIKeyGCVSCAPQYAUGTM-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.98
Rot. Bonds3

About 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one

1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one (PubChem CID 82705400) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one.

Molecular Properties

Compound Name1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one
PubChem CID82705400
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)N1CCCc2c(N)cccc21
InChIInChI=1S/C15H22N2O/c1-3-6-11(2)15(18)17-10-5-7-12-13(16)8-4-9-14(12)17/h4,8-9,11H,3,5-7,10,16H2,1-2H3
InChIKeyGCVSCAPQYAUGTM-UHFFFAOYSA-N
XLogP2.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxypropan-1-one
CID 112706569
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone
CID 82761808
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-ethylfuran-2-yl)methanone
CID 82706143
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 82706528
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone
CID 82707476
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-methylcyclohexyl)methanone
CID 106828103
1-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 82705126
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
CID 82744475
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dichlorophenyl)methanone
CID 82744828
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone
CID 82707193
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclohexylethanone
CID 82707005
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)hexa-2,4-dien-1-one
CID 113341665

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one?
The IUPAC name of 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one (CID 82705400) is 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one.
What is the SMILES notation for 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one?
The canonical SMILES for 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one is CCCC(C)C(=O)N1CCCc2c(N)cccc21.
What is the InChIKey of 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one?
The InChIKey is GCVSCAPQYAUGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-6-11(2)15(18)17-10-5-7-12-13(16)8-4-9-14(12)17/h4,8-9,11H,3,5-7,10,16H2,1-2H3.
What are the key properties of 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one?
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one is sourced from PubChem (CID 82705400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).