4-[1-[[5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzoyl]amino]cyclopropyl]-2-oxo-1,3-dihydroindole-7-carboxylic acid

C25H28N4O4 — CID 177269082

About 4-[1-[[5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzoyl]amino]cyclopropyl]-2-oxo-1,3-dihydroindole-7-carboxylic acid

4-[1-[[5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzoyl]amino]cyclopropyl]-2-oxo-1,3-dihydroindole-7-carboxylic acid (PubChem CID 177269082) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 4-[1-[[5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzoyl]amino]cyclopropyl]-2-oxo-1,3-dihydroindole-7-carboxylic acid.

Molecular Properties

• Compound Name: 4-[1-[[5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzoyl]amino]cyclopropyl]-2-oxo-1,3-dihydroindole-7-carboxylic acid
• PubChem CID: 177269082
• Molecular Formula: C25H28N4O4
• Molecular Weight: 448.52 g/mol
• Exact Mass: 448.21
• IUPAC Name: 4-[1-[[5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzoyl]amino]cyclopropyl]-2-oxo-1,3-dihydroindole-7-carboxylic acid
• SMILES: Cc1ccc(N2CC(N(C)C)C2)cc1C(=O)NC1(c2ccc(C(=O)O)c3c2CC(=O)N3)CC1
• InChI: InChI=1S/C25H28N4O4/c1-14-4-5-15(29-12-16(13-29)28(2)3)10-18(14)23(31)27-25(8-9-25)20-7-6-17(24(32)33)22-19(20)11-21(30)26-22/h4-7,10,16H,8-9,11-13H2,1-3H3,(H,26,30)(H,27,31)(H,32,33)
• InChIKey: DXIQZHRODYXLTR-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 101.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.52
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzoyl]amino]cyclopropyl]-2-oxo-1,3-dihydroindole-7-carboxylic acid?

The IUPAC name of 4-[1-[[5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzoyl]amino]cyclopropyl]-2-oxo-1,3-dihydroindole-7-carboxylic acid (CID 177269082) is 4-[1-[[5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzoyl]amino]cyclopropyl]-2-oxo-1,3-dihydroindole-7-carboxylic acid.

What is the SMILES notation for 4-[1-[[5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzoyl]amino]cyclopropyl]-2-oxo-1,3-dihydroindole-7-carboxylic acid?

The canonical SMILES for 4-[1-[[5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzoyl]amino]cyclopropyl]-2-oxo-1,3-dihydroindole-7-carboxylic acid is Cc1ccc(N2CC(N(C)C)C2)cc1C(=O)NC1(c2ccc(C(=O)O)c3c2CC(=O)N3)CC1.

What is the InChIKey of 4-[1-[[5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzoyl]amino]cyclopropyl]-2-oxo-1,3-dihydroindole-7-carboxylic acid?

The InChIKey is DXIQZHRODYXLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-14-4-5-15(29-12-16(13-29)28(2)3)10-18(14)23(31)27-25(8-9-25)20-7-6-17(24(32)33)22-19(20)11-21(30)26-22/h4-7,10,16H,8-9,11-13H2,1-3H3,(H,26,30)(H,27,31)(H,32,33).

What are the key properties of 4-[1-[[5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzoyl]amino]cyclopropyl]-2-oxo-1,3-dihydroindole-7-carboxylic acid?

4-[1-[[5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzoyl]amino]cyclopropyl]-2-oxo-1,3-dihydroindole-7-carboxylic acid has a molecular weight of 448.52 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[[5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzoyl]amino]cyclopropyl]-2-oxo-1,3-dihydroindole-7-carboxylic acid is sourced from PubChem (CID 177269082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).