N-methyl-N-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methylamino]-2-oxoethyl]prop-2-enamide

C17H23N3O2 — CID 167925297

IUPACN-methyl-N-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methylamino]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)NCC1CCN(C)c2ccccc21
InChIInChI=1S/C17H23N3O2/c1-4-17(22)20(3)12-16(21)18-11-13-9-10-19(2)15-8-6-5-7-14(13)15/h4-8,13H,1,9-12H2,2-3H3,(H,18,21)
InChIKeyCTXGTHRKBQWGDC-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.37
Rot. Bonds5

About N-methyl-N-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methylamino]-2-oxoethyl]prop-2-enamide

N-methyl-N-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methylamino]-2-oxoethyl]prop-2-enamide (PubChem CID 167925297) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-methyl-N-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methylamino]-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methylamino]-2-oxoethyl]prop-2-enamide
PubChem CID167925297
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-methyl-N-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methylamino]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)NCC1CCN(C)c2ccccc21
InChIInChI=1S/C17H23N3O2/c1-4-17(22)20(3)12-16(21)18-11-13-9-10-19(2)15-8-6-5-7-14(13)15/h4-8,13H,1,9-12H2,2-3H3,(H,18,21)
InChIKeyCTXGTHRKBQWGDC-UHFFFAOYSA-N
XLogP1.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methylamino]-2-oxoethyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methylamino]-2-oxoethyl]prop-2-enamide (CID 167925297) is N-methyl-N-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methylamino]-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methylamino]-2-oxoethyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methylamino]-2-oxoethyl]prop-2-enamide is C=CC(=O)N(C)CC(=O)NCC1CCN(C)c2ccccc21.
What is the InChIKey of N-methyl-N-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methylamino]-2-oxoethyl]prop-2-enamide?
The InChIKey is CTXGTHRKBQWGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-17(22)20(3)12-16(21)18-11-13-9-10-19(2)15-8-6-5-7-14(13)15/h4-8,13H,1,9-12H2,2-3H3,(H,18,21).
What are the key properties of N-methyl-N-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methylamino]-2-oxoethyl]prop-2-enamide?
N-methyl-N-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methylamino]-2-oxoethyl]prop-2-enamide has a molecular weight of 301.39 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methylamino]-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 167925297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).