9-chloro-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one

C24H18ClN3O3 — CID 23881192

About 9-chloro-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one

9-chloro-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one (PubChem CID 23881192) has the molecular formula C24H18ClN3O3 and a molecular weight of 431.88 g/mol. Its IUPAC name is 9-chloro-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one.

Molecular Properties

• Compound Name: 9-chloro-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one
• PubChem CID: 23881192
• Molecular Formula: C24H18ClN3O3
• Molecular Weight: 431.88 g/mol
• Exact Mass: 431.10
• IUPAC Name: 9-chloro-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one
• SMILES: COc1ccc(C2=NN3C(C2)c2cc(Cl)ccc2OC32C(=O)Nc3ccccc32)cc1
• InChI: InChI=1S/C24H18ClN3O3/c1-30-16-9-6-14(7-10-16)20-13-21-17-12-15(25)8-11-22(17)31-24(28(21)27-20)18-4-2-3-5-19(18)26-23(24)29/h2-12,21H,13H2,1H3,(H,26,29)
• InChIKey: UXFWQFRODSZCQL-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 63.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.88
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-chloro-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one?

The IUPAC name of 9-chloro-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one (CID 23881192) is 9-chloro-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one.

What is the SMILES notation for 9-chloro-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one?

The canonical SMILES for 9-chloro-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one is COc1ccc(C2=NN3C(C2)c2cc(Cl)ccc2OC32C(=O)Nc3ccccc32)cc1.

What is the InChIKey of 9-chloro-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one?

The InChIKey is UXFWQFRODSZCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O3/c1-30-16-9-6-14(7-10-16)20-13-21-17-12-15(25)8-11-22(17)31-24(28(21)27-20)18-4-2-3-5-19(18)26-23(24)29/h2-12,21H,13H2,1H3,(H,26,29).

What are the key properties of 9-chloro-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one?

9-chloro-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one has a molecular weight of 431.88 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-chloro-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one is sourced from PubChem (CID 23881192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).