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

C15H22N2O — CID 82683241

IUPAC5-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpentan-1-one
SMILESCC(CN)CCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C15H22N2O/c1-12(11-16)8-9-15(18)17-10-4-6-13-5-2-3-7-14(13)17/h2-3,5,7,12H,4,6,8-11,16H2,1H3
InChIKeyGIKGCSDLFDFLMN-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.34
Rot. Bonds4

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

5-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpentan-1-one (PubChem CID 82683241) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpentan-1-one
PubChem CID82683241
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpentan-1-one
SMILESCC(CN)CCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C15H22N2O/c1-12(11-16)8-9-15(18)17-10-4-6-13-5-2-3-7-14(13)17/h2-3,5,7,12H,4,6,8-11,16H2,1H3
InChIKeyGIKGCSDLFDFLMN-UHFFFAOYSA-N
XLogP2.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]pentan-1-one
CID 120565523
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoate
CID 3663082
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]sulfanylpropan-1-one
CID 3609864
4-amino-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butan-1-one;hydrochloride
CID 119294298
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanethioamide
CID 43120466
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]ethanone
CID 68964307
2-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]propanamide;hydrochloride
CID 119302463
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pentanoate
CID 156857843
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 2300886
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpentan-1-one?
The IUPAC name of 5-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpentan-1-one (CID 82683241) is 5-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpentan-1-one?
The canonical SMILES for 5-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpentan-1-one is CC(CN)CCC(=O)N1CCCc2ccccc21.
What is the InChIKey of 5-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpentan-1-one?
The InChIKey is GIKGCSDLFDFLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12(11-16)8-9-15(18)17-10-4-6-13-5-2-3-7-14(13)17/h2-3,5,7,12H,4,6,8-11,16H2,1H3.
What are the key properties of 5-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpentan-1-one?
5-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpentan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpentan-1-one is sourced from PubChem (CID 82683241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).