[4-(methylamino)-3,4-dihydro-2H-quinolin-1-yl]-(4-methylpiperidin-1-yl)methanone

C17H25N3O — CID 79157886

IUPAC[4-(methylamino)-3,4-dihydro-2H-quinolin-1-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCNC1CCN(C(=O)N2CCC(C)CC2)c2ccccc21
InChIInChI=1S/C17H25N3O/c1-13-7-10-19(11-8-13)17(21)20-12-9-15(18-2)14-5-3-4-6-16(14)20/h3-6,13,15,18H,7-12H2,1-2H3
InChIKeyCZUVCVHTPGFVTQ-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.01
Rot. Bonds1

About [4-(methylamino)-3,4-dihydro-2H-quinolin-1-yl]-(4-methylpiperidin-1-yl)methanone

[4-(methylamino)-3,4-dihydro-2H-quinolin-1-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 79157886) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is [4-(methylamino)-3,4-dihydro-2H-quinolin-1-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(methylamino)-3,4-dihydro-2H-quinolin-1-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID79157886
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name[4-(methylamino)-3,4-dihydro-2H-quinolin-1-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCNC1CCN(C(=O)N2CCC(C)CC2)c2ccccc21
InChIInChI=1S/C17H25N3O/c1-13-7-10-19(11-8-13)17(21)20-12-9-15(18-2)14-5-3-4-6-16(14)20/h3-6,13,15,18H,7-12H2,1-2H3
InChIKeyCZUVCVHTPGFVTQ-UHFFFAOYSA-N
XLogP3.01
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 79159594
tert-butyl 4-(methylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 79122225
3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone
CID 108987982
[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone
CID 114335708
5-(methylamino)-N-propyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 114335860
1-(3,5-dimethylcyclohexyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine
CID 64734907
1-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-propoxyethanone
CID 107937221
(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 114337478
(4-methylpiperidin-1-yl)-phenothiazin-10-ylmethanone
CID 714968
N,N-dimethyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetamide
CID 114336281
[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 114335740
1-methyl-3-[1-(2-pyridin-4-ylacetyl)-3,4-dihydro-2H-quinolin-4-yl]urea
CID 18337515

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)-3,4-dihydro-2H-quinolin-1-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-(methylamino)-3,4-dihydro-2H-quinolin-1-yl]-(4-methylpiperidin-1-yl)methanone (CID 79157886) is [4-(methylamino)-3,4-dihydro-2H-quinolin-1-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(methylamino)-3,4-dihydro-2H-quinolin-1-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(methylamino)-3,4-dihydro-2H-quinolin-1-yl]-(4-methylpiperidin-1-yl)methanone is CNC1CCN(C(=O)N2CCC(C)CC2)c2ccccc21.
What is the InChIKey of [4-(methylamino)-3,4-dihydro-2H-quinolin-1-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is CZUVCVHTPGFVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13-7-10-19(11-8-13)17(21)20-12-9-15(18-2)14-5-3-4-6-16(14)20/h3-6,13,15,18H,7-12H2,1-2H3.
What are the key properties of [4-(methylamino)-3,4-dihydro-2H-quinolin-1-yl]-(4-methylpiperidin-1-yl)methanone?
[4-(methylamino)-3,4-dihydro-2H-quinolin-1-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 287.41 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)-3,4-dihydro-2H-quinolin-1-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 79157886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).