3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-propan-2-ylbenzamide;hydrochloride

C32H34Cl3N5O4 — CID 22113365

About 3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-propan-2-ylbenzamide;hydrochloride

3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-propan-2-ylbenzamide;hydrochloride (PubChem CID 22113365) has the molecular formula C32H34Cl3N5O4 and a molecular weight of 659.01 g/mol. Its IUPAC name is 3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-propan-2-ylbenzamide;hydrochloride.

Molecular Properties

• Compound Name: 3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-propan-2-ylbenzamide;hydrochloride
• PubChem CID: 22113365
• Molecular Formula: C32H34Cl3N5O4
• Molecular Weight: 659.01 g/mol
• Exact Mass: 657.17
• IUPAC Name: 3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-propan-2-ylbenzamide;hydrochloride
• SMILES: Cc1ccc2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)Nc4cccc(C(=O)N(C)C(C)C)c4)c3Cl)c2n1.Cl
• InChI: InChI=1S/C32H33Cl2N5O4.ClH/c1-19(2)38(4)31(41)22-9-6-10-23(16-22)37-32(42)35-17-28(40)39(5)26-15-14-25(33)24(29(26)34)18-43-27-11-7-8-21-13-12-20(3)36-30(21)27;/h6-16,19H,17-18H2,1-5H3,(H2,35,37,42);1H
• InChIKey: BQXUJCWTWGFSJG-UHFFFAOYSA-N
• XLogP: 7.12
• TPSA: 103.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.01
LogP ≤ 5	7.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-propan-2-ylbenzamide;hydrochloride?

The IUPAC name of 3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-propan-2-ylbenzamide;hydrochloride (CID 22113365) is 3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-propan-2-ylbenzamide;hydrochloride.

What is the SMILES notation for 3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-propan-2-ylbenzamide;hydrochloride?

The canonical SMILES for 3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-propan-2-ylbenzamide;hydrochloride is Cc1ccc2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)Nc4cccc(C(=O)N(C)C(C)C)c4)c3Cl)c2n1.Cl.

What is the InChIKey of 3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-propan-2-ylbenzamide;hydrochloride?

The InChIKey is BQXUJCWTWGFSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33Cl2N5O4.ClH/c1-19(2)38(4)31(41)22-9-6-10-23(16-22)37-32(42)35-17-28(40)39(5)26-15-14-25(33)24(29(26)34)18-43-27-11-7-8-21-13-12-20(3)36-30(21)27;/h6-16,19H,17-18H2,1-5H3,(H2,35,37,42);1H.

What are the key properties of 3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-propan-2-ylbenzamide;hydrochloride?

3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-propan-2-ylbenzamide;hydrochloride has a molecular weight of 659.01 g/mol, XLogP of 7.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-propan-2-ylbenzamide;hydrochloride is sourced from PubChem (CID 22113365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).