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

C15H22N2O — CID 63522833

IUPAC2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESCC1Cc2ccccc2N(C(=O)C(N)C(C)C)C1
InChIInChI=1S/C15H22N2O/c1-10(2)14(16)15(18)17-9-11(3)8-12-6-4-5-7-13(12)17/h4-7,10-11,14H,8-9,16H2,1-3H3
InChIKeyDTHVDLMEUAXLIO-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.20
Rot. Bonds2

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

2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one (PubChem CID 63522833) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
PubChem CID63522833
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESCC1Cc2ccccc2N(C(=O)C(N)C(C)C)C1
InChIInChI=1S/C15H22N2O/c1-10(2)14(16)15(18)17-9-11(3)8-12-6-4-5-7-13(12)17/h4-7,10-11,14H,8-9,16H2,1-3H3
InChIKeyDTHVDLMEUAXLIO-UHFFFAOYSA-N
XLogP2.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride
CID 119319569
(2R)-2-amino-3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 103929918
2-(methylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63522299
(2S)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-methylsulfanylbutan-1-one
CID 63523011
(2R)-2-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 79011425
3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515
(2-aminophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63401608
N-(2-chloropropanoyl)-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 63548864
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one
CID 166787570
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(nitrosomethyl)prop-2-en-1-one
CID 166787687
4-(2-amino-3-methylbutanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 61252660
(1-aminocyclobutyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81169109

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The IUPAC name of 2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one (CID 63522833) is 2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one.
What is the SMILES notation for 2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The canonical SMILES for 2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one is CC1Cc2ccccc2N(C(=O)C(N)C(C)C)C1.
What is the InChIKey of 2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The InChIKey is DTHVDLMEUAXLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(2)14(16)15(18)17-9-11(3)8-12-6-4-5-7-13(12)17/h4-7,10-11,14H,8-9,16H2,1-3H3.
What are the key properties of 2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one is sourced from PubChem (CID 63522833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).