2-[(4-acetylphenyl)carbamoylamino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide

C29H26Cl2N4O4 — CID 22112943

About 2-[(4-acetylphenyl)carbamoylamino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide

2-[(4-acetylphenyl)carbamoylamino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide (PubChem CID 22112943) has the molecular formula C29H26Cl2N4O4 and a molecular weight of 565.46 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)carbamoylamino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[(4-acetylphenyl)carbamoylamino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
• PubChem CID: 22112943
• Molecular Formula: C29H26Cl2N4O4
• Molecular Weight: 565.46 g/mol
• Exact Mass: 564.13
• IUPAC Name: 2-[(4-acetylphenyl)carbamoylamino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
• SMILES: CC(=O)c1ccc(NC(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1
• InChI: InChI=1S/C29H26Cl2N4O4/c1-17-7-8-20-5-4-6-25(28(20)33-17)39-16-22-23(30)13-14-24(27(22)31)35(3)26(37)15-32-29(38)34-21-11-9-19(10-12-21)18(2)36/h4-14H,15-16H2,1-3H3,(H2,32,34,38)
• InChIKey: VVWATPNVIYQKGG-UHFFFAOYSA-N
• XLogP: 6.42
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.46
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)carbamoylamino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide?

The IUPAC name of 2-[(4-acetylphenyl)carbamoylamino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide (CID 22112943) is 2-[(4-acetylphenyl)carbamoylamino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide.

What is the SMILES notation for 2-[(4-acetylphenyl)carbamoylamino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide?

The canonical SMILES for 2-[(4-acetylphenyl)carbamoylamino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide is CC(=O)c1ccc(NC(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1.

What is the InChIKey of 2-[(4-acetylphenyl)carbamoylamino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide?

The InChIKey is VVWATPNVIYQKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26Cl2N4O4/c1-17-7-8-20-5-4-6-25(28(20)33-17)39-16-22-23(30)13-14-24(27(22)31)35(3)26(37)15-32-29(38)34-21-11-9-19(10-12-21)18(2)36/h4-14H,15-16H2,1-3H3,(H2,32,34,38).

What are the key properties of 2-[(4-acetylphenyl)carbamoylamino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide?

2-[(4-acetylphenyl)carbamoylamino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide has a molecular weight of 565.46 g/mol, XLogP of 6.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-acetylphenyl)carbamoylamino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide is sourced from PubChem (CID 22112943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).