2-[N-carbamoyl-2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-N-phenylacetamide

C26H22Cl2N4O3 — CID 67695971

About 2-[N-carbamoyl-2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-N-phenylacetamide

2-[N-carbamoyl-2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-N-phenylacetamide (PubChem CID 67695971) has the molecular formula C26H22Cl2N4O3 and a molecular weight of 509.39 g/mol. Its IUPAC name is 2-[N-carbamoyl-2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-N-phenylacetamide.

Molecular Properties

• Compound Name: 2-[N-carbamoyl-2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-N-phenylacetamide
• PubChem CID: 67695971
• Molecular Formula: C26H22Cl2N4O3
• Molecular Weight: 509.39 g/mol
• Exact Mass: 508.11
• IUPAC Name: 2-[N-carbamoyl-2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-N-phenylacetamide
• SMILES: Cc1ccc2cccc(OCc3c(Cl)ccc(N(CC(=O)Nc4ccccc4)C(N)=O)c3Cl)c2n1
• InChI: InChI=1S/C26H22Cl2N4O3/c1-16-10-11-17-6-5-9-22(25(17)30-16)35-15-19-20(27)12-13-21(24(19)28)32(26(29)34)14-23(33)31-18-7-3-2-4-8-18/h2-13H,14-15H2,1H3,(H2,29,34)(H,31,33)
• InChIKey: UGQUNBGSTFGDNR-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 97.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.39
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[N-carbamoyl-2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-N-phenylacetamide?

The IUPAC name of 2-[N-carbamoyl-2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-N-phenylacetamide (CID 67695971) is 2-[N-carbamoyl-2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-N-phenylacetamide.

What is the SMILES notation for 2-[N-carbamoyl-2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-N-phenylacetamide?

The canonical SMILES for 2-[N-carbamoyl-2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-N-phenylacetamide is Cc1ccc2cccc(OCc3c(Cl)ccc(N(CC(=O)Nc4ccccc4)C(N)=O)c3Cl)c2n1.

What is the InChIKey of 2-[N-carbamoyl-2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-N-phenylacetamide?

The InChIKey is UGQUNBGSTFGDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N4O3/c1-16-10-11-17-6-5-9-22(25(17)30-16)35-15-19-20(27)12-13-21(24(19)28)32(26(29)34)14-23(33)31-18-7-3-2-4-8-18/h2-13H,14-15H2,1H3,(H2,29,34)(H,31,33).

What are the key properties of 2-[N-carbamoyl-2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-N-phenylacetamide?

2-[N-carbamoyl-2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-N-phenylacetamide has a molecular weight of 509.39 g/mol, XLogP of 5.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[N-carbamoyl-2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-N-phenylacetamide is sourced from PubChem (CID 67695971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).