N-methyl-N-[2-oxo-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)amino]ethyl]prop-2-enamide

C15H19N3O3 — CID 138037658

IUPACN-methyl-N-[2-oxo-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)Nc1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C15H19N3O3/c1-3-14(20)18(2)9-13(19)16-12-8-10-6-4-5-7-11(10)17-15(12)21/h3,8H,1,4-7,9H2,2H3,(H,16,19)(H,17,21)
InChIKeyIBYOIJPSFDFRAY-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.84
Rot. Bonds4

About N-methyl-N-[2-oxo-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)amino]ethyl]prop-2-enamide

N-methyl-N-[2-oxo-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)amino]ethyl]prop-2-enamide (PubChem CID 138037658) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)amino]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)amino]ethyl]prop-2-enamide
PubChem CID138037658
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-methyl-N-[2-oxo-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)Nc1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C15H19N3O3/c1-3-14(20)18(2)9-13(19)16-12-8-10-6-4-5-7-11(10)17-15(12)21/h3,8H,1,4-7,9H2,2H3,(H,16,19)(H,17,21)
InChIKeyIBYOIJPSFDFRAY-UHFFFAOYSA-N
XLogP0.84
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
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-oxo-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)amino]ethyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)amino]ethyl]prop-2-enamide (CID 138037658) is N-methyl-N-[2-oxo-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)amino]ethyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)amino]ethyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)amino]ethyl]prop-2-enamide is C=CC(=O)N(C)CC(=O)Nc1cc2c([nH]c1=O)CCCC2.
What is the InChIKey of N-methyl-N-[2-oxo-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)amino]ethyl]prop-2-enamide?
The InChIKey is IBYOIJPSFDFRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-14(20)18(2)9-13(19)16-12-8-10-6-4-5-7-11(10)17-15(12)21/h3,8H,1,4-7,9H2,2H3,(H,16,19)(H,17,21).
What are the key properties of N-methyl-N-[2-oxo-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)amino]ethyl]prop-2-enamide?
N-methyl-N-[2-oxo-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)amino]ethyl]prop-2-enamide has a molecular weight of 289.34 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)amino]ethyl]prop-2-enamide is sourced from PubChem (CID 138037658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).