1-[5-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one

C20H26N2O2 — CID 166421066

IUPAC1-[5-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCCc2c(C(=O)N3CC(C)CC(C)C3)cccc21
InChIInChI=1S/C20H26N2O2/c1-4-19(23)22-10-6-8-16-17(7-5-9-18(16)22)20(24)21-12-14(2)11-15(3)13-21/h4-5,7,9,14-15H,1,6,8,10-13H2,2-3H3
InChIKeyMJXTUQRHKRVITA-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.27
Rot. Bonds2

About 1-[5-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one

1-[5-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one (PubChem CID 166421066) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[5-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[5-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
PubChem CID166421066
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-[5-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCCc2c(C(=O)N3CC(C)CC(C)C3)cccc21
InChIInChI=1S/C20H26N2O2/c1-4-19(23)22-10-6-8-16-17(7-5-9-18(16)22)20(24)21-12-14(2)11-15(3)13-21/h4-5,7,9,14-15H,1,6,8,10-13H2,2-3H3
InChIKeyMJXTUQRHKRVITA-UHFFFAOYSA-N
XLogP3.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 166420189
1-[5-[2-(1-hydroxyethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 166420181
methyl 1-prop-2-enoyl-2,3-dihydroindole-4-carboxylate
CID 89003521
1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 165439542
1-[5-[2-[(2,3-difluorophenyl)methyl]pyrrolidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 166421016
N-(3-methyl-1,3-thiazol-2-ylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 166420952
1-prop-2-enoyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3,4-dihydro-2H-quinoline-5-carboxamide
CID 166420947
N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 167941126
6-methyl-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 139015560
1-(4-hydroxy-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 123314789
N-[2-(oxan-3-yl)ethyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 166420180
1-prop-2-enoyl-N-[3-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 166420964

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[5-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one (CID 166421066) is 1-[5-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[5-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[5-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCCc2c(C(=O)N3CC(C)CC(C)C3)cccc21.
What is the InChIKey of 1-[5-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one?
The InChIKey is MJXTUQRHKRVITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-4-19(23)22-10-6-8-16-17(7-5-9-18(16)22)20(24)21-12-14(2)11-15(3)13-21/h4-5,7,9,14-15H,1,6,8,10-13H2,2-3H3.
What are the key properties of 1-[5-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one?
1-[5-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one has a molecular weight of 326.44 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 166421066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).