(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methylpiperazin-2-yl)methanone

C16H23N3O — CID 63526190

IUPAC(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methylpiperazin-2-yl)methanone
SMILESCC1Cc2ccccc2N(C(=O)C2CNC(C)CN2)C1
InChIInChI=1S/C16H23N3O/c1-11-7-13-5-3-4-6-15(13)19(10-11)16(20)14-9-17-12(2)8-18-14/h3-6,11-12,14,17-18H,7-10H2,1-2H3
InChIKeyJHQMDUPVWFHUBI-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.16
Rot. Bonds1

About (3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methylpiperazin-2-yl)methanone

(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methylpiperazin-2-yl)methanone (PubChem CID 63526190) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methylpiperazin-2-yl)methanone.

Molecular Properties

Compound Name(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methylpiperazin-2-yl)methanone
PubChem CID63526190
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methylpiperazin-2-yl)methanone
SMILESCC1Cc2ccccc2N(C(=O)C2CNC(C)CN2)C1
InChIInChI=1S/C16H23N3O/c1-11-7-13-5-3-4-6-15(13)19(10-11)16(20)14-9-17-12(2)8-18-14/h3-6,11-12,14,17-18H,7-10H2,1-2H3
InChIKeyJHQMDUPVWFHUBI-UHFFFAOYSA-N
XLogP1.16
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methylpiperazin-2-yl)methanone with MolForge

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Related Compounds

(4-hydroxypyrrolidin-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63523014
(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-2-ylmethanone
CID 63522655
(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(6-methylpiperidin-2-yl)methanone
CID 63526013
4-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 78942007
(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-morpholin-2-ylmethanone
CID 63522121
5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427196
3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one
CID 166787570
(1-aminocyclobutyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81169109
2-methyl-2-(methylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 55195653
(2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride
CID 119319569
N-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110662911

Frequently Asked Questions

What is the IUPAC name of (3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methylpiperazin-2-yl)methanone?
The IUPAC name of (3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methylpiperazin-2-yl)methanone (CID 63526190) is (3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methylpiperazin-2-yl)methanone.
What is the SMILES notation for (3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methylpiperazin-2-yl)methanone?
The canonical SMILES for (3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methylpiperazin-2-yl)methanone is CC1Cc2ccccc2N(C(=O)C2CNC(C)CN2)C1.
What is the InChIKey of (3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methylpiperazin-2-yl)methanone?
The InChIKey is JHQMDUPVWFHUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-7-13-5-3-4-6-15(13)19(10-11)16(20)14-9-17-12(2)8-18-14/h3-6,11-12,14,17-18H,7-10H2,1-2H3.
What are the key properties of (3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methylpiperazin-2-yl)methanone?
(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methylpiperazin-2-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methylpiperazin-2-yl)methanone is sourced from PubChem (CID 63526190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).