methyl 2'-amino-1'-(4-bromophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate

C24H20BrN3O4 — CID 23942139

IUPACmethyl 2'-amino-1'-(4-bromophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate
SMILESCOC(=O)C1=C(N)N(c2ccc(Br)cc2)C2=C(C(=O)CCC2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C24H20BrN3O4/c1-32-22(30)20-21(26)28(14-11-9-13(25)10-12-14)17-7-4-8-18(29)19(17)24(20)15-5-2-3-6-16(15)27-23(24)31/h2-3,5-6,9-12H,4,7-8,26H2,1H3,(H,27,31)
InChIKeyHZLOLGIABYPBGQ-UHFFFAOYSA-N
MW494.35 g/mol
LogP3.51
Rot. Bonds2

About methyl 2'-amino-1'-(4-bromophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate

methyl 2'-amino-1'-(4-bromophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate (PubChem CID 23942139) has the molecular formula C24H20BrN3O4 and a molecular weight of 494.35 g/mol. Its IUPAC name is methyl 2'-amino-1'-(4-bromophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate.

Molecular Properties

Compound Namemethyl 2'-amino-1'-(4-bromophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate
PubChem CID23942139
Molecular FormulaC24H20BrN3O4
Molecular Weight494.35 g/mol
Exact Mass493.06
IUPAC Namemethyl 2'-amino-1'-(4-bromophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate
SMILESCOC(=O)C1=C(N)N(c2ccc(Br)cc2)C2=C(C(=O)CCC2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C24H20BrN3O4/c1-32-22(30)20-21(26)28(14-11-9-13(25)10-12-14)17-7-4-8-18(29)19(17)24(20)15-5-2-3-6-16(15)27-23(24)31/h2-3,5-6,9-12H,4,7-8,26H2,1H3,(H,27,31)
InChIKeyHZLOLGIABYPBGQ-UHFFFAOYSA-N
XLogP3.51
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.35
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2'-amino-1'-(4-bromophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2'-amino-1'-(4-bromophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate?
The IUPAC name of methyl 2'-amino-1'-(4-bromophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate (CID 23942139) is methyl 2'-amino-1'-(4-bromophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate.
What is the SMILES notation for methyl 2'-amino-1'-(4-bromophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate?
The canonical SMILES for methyl 2'-amino-1'-(4-bromophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate is COC(=O)C1=C(N)N(c2ccc(Br)cc2)C2=C(C(=O)CCC2)C12C(=O)Nc1ccccc12.
What is the InChIKey of methyl 2'-amino-1'-(4-bromophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate?
The InChIKey is HZLOLGIABYPBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN3O4/c1-32-22(30)20-21(26)28(14-11-9-13(25)10-12-14)17-7-4-8-18(29)19(17)24(20)15-5-2-3-6-16(15)27-23(24)31/h2-3,5-6,9-12H,4,7-8,26H2,1H3,(H,27,31).
What are the key properties of methyl 2'-amino-1'-(4-bromophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate?
methyl 2'-amino-1'-(4-bromophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate has a molecular weight of 494.35 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2'-amino-1'-(4-bromophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate is sourced from PubChem (CID 23942139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).