N-methyl-5-[3-oxo-3-[[2-oxo-2-[N,2,4-trimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]ethyl]amino]prop-1-enyl]pyridine-2-carboxamide

C32H33N5O4 — CID 67609590

About N-methyl-5-[3-oxo-3-[[2-oxo-2-[N,2,4-trimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]ethyl]amino]prop-1-enyl]pyridine-2-carboxamide

N-methyl-5-[3-oxo-3-[[2-oxo-2-[N,2,4-trimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]ethyl]amino]prop-1-enyl]pyridine-2-carboxamide (PubChem CID 67609590) has the molecular formula C32H33N5O4 and a molecular weight of 551.65 g/mol. Its IUPAC name is N-methyl-5-[3-oxo-3-[[2-oxo-2-[N,2,4-trimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]ethyl]amino]prop-1-enyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-methyl-5-[3-oxo-3-[[2-oxo-2-[N,2,4-trimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]ethyl]amino]prop-1-enyl]pyridine-2-carboxamide
• PubChem CID: 67609590
• Molecular Formula: C32H33N5O4
• Molecular Weight: 551.65 g/mol
• Exact Mass: 551.25
• IUPAC Name: N-methyl-5-[3-oxo-3-[[2-oxo-2-[N,2,4-trimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]ethyl]amino]prop-1-enyl]pyridine-2-carboxamide
• SMILES: CNC(=O)c1ccc(C=CC(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4ccc(C)nc34)c2C)cn1
• InChI: InChI=1S/C32H33N5O4/c1-20-9-15-27(22(3)25(20)19-41-28-8-6-7-24-13-10-21(2)36-31(24)28)37(5)30(39)18-35-29(38)16-12-23-11-14-26(34-17-23)32(40)33-4/h6-17H,18-19H2,1-5H3,(H,33,40)(H,35,38)
• InChIKey: PZOVCNKPBXMCDZ-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 113.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.65
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[3-oxo-3-[[2-oxo-2-[N,2,4-trimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]ethyl]amino]prop-1-enyl]pyridine-2-carboxamide?

The IUPAC name of N-methyl-5-[3-oxo-3-[[2-oxo-2-[N,2,4-trimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]ethyl]amino]prop-1-enyl]pyridine-2-carboxamide (CID 67609590) is N-methyl-5-[3-oxo-3-[[2-oxo-2-[N,2,4-trimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]ethyl]amino]prop-1-enyl]pyridine-2-carboxamide.

What is the SMILES notation for N-methyl-5-[3-oxo-3-[[2-oxo-2-[N,2,4-trimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]ethyl]amino]prop-1-enyl]pyridine-2-carboxamide?

The canonical SMILES for N-methyl-5-[3-oxo-3-[[2-oxo-2-[N,2,4-trimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]ethyl]amino]prop-1-enyl]pyridine-2-carboxamide is CNC(=O)c1ccc(C=CC(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4ccc(C)nc34)c2C)cn1.

What is the InChIKey of N-methyl-5-[3-oxo-3-[[2-oxo-2-[N,2,4-trimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]ethyl]amino]prop-1-enyl]pyridine-2-carboxamide?

The InChIKey is PZOVCNKPBXMCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N5O4/c1-20-9-15-27(22(3)25(20)19-41-28-8-6-7-24-13-10-21(2)36-31(24)28)37(5)30(39)18-35-29(38)16-12-23-11-14-26(34-17-23)32(40)33-4/h6-17H,18-19H2,1-5H3,(H,33,40)(H,35,38).

What are the key properties of N-methyl-5-[3-oxo-3-[[2-oxo-2-[N,2,4-trimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]ethyl]amino]prop-1-enyl]pyridine-2-carboxamide?

N-methyl-5-[3-oxo-3-[[2-oxo-2-[N,2,4-trimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]ethyl]amino]prop-1-enyl]pyridine-2-carboxamide has a molecular weight of 551.65 g/mol, XLogP of 4.29, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-5-[3-oxo-3-[[2-oxo-2-[N,2,4-trimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]ethyl]amino]prop-1-enyl]pyridine-2-carboxamide is sourced from PubChem (CID 67609590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).