N-cyclopropyl-4-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzamide

C21H21N3O4 — CID 55559193

About N-cyclopropyl-4-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzamide

N-cyclopropyl-4-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzamide (PubChem CID 55559193) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-cyclopropyl-4-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzamide
• PubChem CID: 55559193
• Molecular Formula: C21H21N3O4
• Molecular Weight: 379.42 g/mol
• Exact Mass: 379.15
• IUPAC Name: N-cyclopropyl-4-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzamide
• SMILES: O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1ccc(C(=O)NC2CC2)cc1
• InChI: InChI=1S/C21H21N3O4/c25-19-10-3-14-11-17(8-9-18(14)24-19)28-12-20(26)22-15-4-1-13(2-5-15)21(27)23-16-6-7-16/h1-2,4-5,8-9,11,16H,3,6-7,10,12H2,(H,22,26)(H,23,27)(H,24,25)
• InChIKey: GHGYBPFDYXWPOR-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 96.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.42
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzamide?

The IUPAC name of N-cyclopropyl-4-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzamide (CID 55559193) is N-cyclopropyl-4-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzamide.

What is the SMILES notation for N-cyclopropyl-4-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzamide?

The canonical SMILES for N-cyclopropyl-4-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzamide is O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1ccc(C(=O)NC2CC2)cc1.

What is the InChIKey of N-cyclopropyl-4-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzamide?

The InChIKey is GHGYBPFDYXWPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c25-19-10-3-14-11-17(8-9-18(14)24-19)28-12-20(26)22-15-4-1-13(2-5-15)21(27)23-16-6-7-16/h1-2,4-5,8-9,11,16H,3,6-7,10,12H2,(H,22,26)(H,23,27)(H,24,25).

What are the key properties of N-cyclopropyl-4-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzamide?

N-cyclopropyl-4-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzamide has a molecular weight of 379.42 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzamide is sourced from PubChem (CID 55559193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).