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

C26H24BrN3O4 — CID 23970028

IUPACmethyl 2'-amino-1'-(2-bromophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate
SMILESCOC(=O)C1=C(N)N(c2ccccc2Br)C2=C(C(=O)CC(C)(C)C2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C26H24BrN3O4/c1-25(2)12-18-20(19(31)13-25)26(14-8-4-6-10-16(14)29-24(26)33)21(23(32)34-3)22(28)30(18)17-11-7-5-9-15(17)27/h4-11H,12-13,28H2,1-3H3,(H,29,33)
InChIKeyDXGFGGVIVCUZRO-UHFFFAOYSA-N
MW522.40 g/mol
LogP4.15
Rot. Bonds2

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

methyl 2'-amino-1'-(2-bromophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate (PubChem CID 23970028) has the molecular formula C26H24BrN3O4 and a molecular weight of 522.40 g/mol. Its IUPAC name is methyl 2'-amino-1'-(2-bromophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate.

Molecular Properties

Compound Namemethyl 2'-amino-1'-(2-bromophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate
PubChem CID23970028
Molecular FormulaC26H24BrN3O4
Molecular Weight522.40 g/mol
Exact Mass521.10
IUPAC Namemethyl 2'-amino-1'-(2-bromophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate
SMILESCOC(=O)C1=C(N)N(c2ccccc2Br)C2=C(C(=O)CC(C)(C)C2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C26H24BrN3O4/c1-25(2)12-18-20(19(31)13-25)26(14-8-4-6-10-16(14)29-24(26)33)21(23(32)34-3)22(28)30(18)17-11-7-5-9-15(17)27/h4-11H,12-13,28H2,1-3H3,(H,29,33)
InChIKeyDXGFGGVIVCUZRO-UHFFFAOYSA-N
XLogP4.15
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.40
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2'-amino-1'-(2-bromophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate?
The IUPAC name of methyl 2'-amino-1'-(2-bromophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate (CID 23970028) is methyl 2'-amino-1'-(2-bromophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate.
What is the SMILES notation for methyl 2'-amino-1'-(2-bromophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate?
The canonical SMILES for methyl 2'-amino-1'-(2-bromophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate is COC(=O)C1=C(N)N(c2ccccc2Br)C2=C(C(=O)CC(C)(C)C2)C12C(=O)Nc1ccccc12.
What is the InChIKey of methyl 2'-amino-1'-(2-bromophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate?
The InChIKey is DXGFGGVIVCUZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrN3O4/c1-25(2)12-18-20(19(31)13-25)26(14-8-4-6-10-16(14)29-24(26)33)21(23(32)34-3)22(28)30(18)17-11-7-5-9-15(17)27/h4-11H,12-13,28H2,1-3H3,(H,29,33).
What are the key properties of methyl 2'-amino-1'-(2-bromophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate?
methyl 2'-amino-1'-(2-bromophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate has a molecular weight of 522.40 g/mol, XLogP of 4.15, 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'-(2-bromophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate is sourced from PubChem (CID 23970028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).