(E)-N-[2-[N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]-2,4-bis(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide;hydrochloride

C41H43ClN6O6 — CID 45262319

About (E)-N-[2-[N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]-2,4-bis(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide;hydrochloride

(E)-N-[2-[N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]-2,4-bis(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide;hydrochloride (PubChem CID 45262319) has the molecular formula C41H43ClN6O6 and a molecular weight of 751.28 g/mol. Its IUPAC name is (E)-N-[2-[N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]-2,4-bis(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide;hydrochloride.

Molecular Properties

• Compound Name: (E)-N-[2-[N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]-2,4-bis(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide;hydrochloride
• PubChem CID: 45262319
• Molecular Formula: C41H43ClN6O6
• Molecular Weight: 751.28 g/mol
• Exact Mass: 750.29
• IUPAC Name: (E)-N-[2-[N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]-2,4-bis(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide;hydrochloride
• SMILES: Cc1ccc2cccc(OCc3c(N4CCCC4=O)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(N5CCCC5=O)cc4)c3N3CCCC3=O)c2n1.Cl
• InChI: InChI=1S/C41H42N6O6.ClH/c1-27-12-16-29-7-3-8-34(40(29)43-27)53-26-31-32(46-23-5-10-37(46)50)19-20-33(41(31)47-24-6-11-38(47)51)44(2)39(52)25-42-35(48)21-15-28-13-17-30(18-14-28)45-22-4-9-36(45)49;/h3,7-8,12-21H,4-6,9-11,22-26H2,1-2H3,(H,42,48);1H/b21-15+
• InChIKey: UMXIQWFKVFANFG-NEMIEIFKSA-N
• XLogP: 5.72
• TPSA: 132.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.28
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]-2,4-bis(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide;hydrochloride?

The IUPAC name of (E)-N-[2-[N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]-2,4-bis(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide;hydrochloride (CID 45262319) is (E)-N-[2-[N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]-2,4-bis(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide;hydrochloride.

What is the SMILES notation for (E)-N-[2-[N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]-2,4-bis(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide;hydrochloride?

The canonical SMILES for (E)-N-[2-[N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]-2,4-bis(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide;hydrochloride is Cc1ccc2cccc(OCc3c(N4CCCC4=O)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(N5CCCC5=O)cc4)c3N3CCCC3=O)c2n1.Cl.

What is the InChIKey of (E)-N-[2-[N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]-2,4-bis(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide;hydrochloride?

The InChIKey is UMXIQWFKVFANFG-NEMIEIFKSA-N. The full InChI is InChI=1S/C41H42N6O6.ClH/c1-27-12-16-29-7-3-8-34(40(29)43-27)53-26-31-32(46-23-5-10-37(46)50)19-20-33(41(31)47-24-6-11-38(47)51)44(2)39(52)25-42-35(48)21-15-28-13-17-30(18-14-28)45-22-4-9-36(45)49;/h3,7-8,12-21H,4-6,9-11,22-26H2,1-2H3,(H,42,48);1H/b21-15+;.

What are the key properties of (E)-N-[2-[N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]-2,4-bis(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide;hydrochloride?

(E)-N-[2-[N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]-2,4-bis(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide;hydrochloride has a molecular weight of 751.28 g/mol, XLogP of 5.72, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[2-[N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]-2,4-bis(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide;hydrochloride is sourced from PubChem (CID 45262319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).