2-(5-amino-2-pyridinyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

C17H19N3O — CID 107338817

IUPAC2-(5-amino-2-pyridinyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCC1Cc2ccccc2N(C(=O)Cc2ccc(N)cn2)C1
InChIInChI=1S/C17H19N3O/c1-12-8-13-4-2-3-5-16(13)20(11-12)17(21)9-15-7-6-14(18)10-19-15/h2-7,10,12H,8-9,11,18H2,1H3
InChIKeyOKUIOKSEVGZLEY-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.43
Rot. Bonds2

About 2-(5-amino-2-pyridinyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

2-(5-amino-2-pyridinyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 107338817) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID107338817
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(5-amino-2-pyridinyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCC1Cc2ccccc2N(C(=O)Cc2ccc(N)cn2)C1
InChIInChI=1S/C17H19N3O/c1-12-8-13-4-2-3-5-16(13)20(11-12)17(21)9-15-7-6-14(18)10-19-15/h2-7,10,12H,8-9,11,18H2,1H3
InChIKeyOKUIOKSEVGZLEY-UHFFFAOYSA-N
XLogP2.43
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515
3-(aminomethyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 81079948
[5-(aminomethyl)-2-pyridinyl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63723229
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one
CID 166787570
2-anilino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride
CID 119776726
1-[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 95326480
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110609295
(2-aminophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63401608
(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-2-ylmethanone
CID 63522655
2-(5-amino-2-pyridinyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 120639325
(1-aminocyclobutyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81169109
2-(5-amino-2-pyridinyl)-1-(4-methylazepan-1-yl)ethanone
CID 107338827

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-(5-amino-2-pyridinyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 107338817) is 2-(5-amino-2-pyridinyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is CC1Cc2ccccc2N(C(=O)Cc2ccc(N)cn2)C1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is OKUIOKSEVGZLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-8-13-4-2-3-5-16(13)20(11-12)17(21)9-15-7-6-14(18)10-19-15/h2-7,10,12H,8-9,11,18H2,1H3.
What are the key properties of 2-(5-amino-2-pyridinyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-(5-amino-2-pyridinyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 281.36 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 107338817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).