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

C26H22Cl3N3O4 — CID 23914150

IUPACmethyl 2'-amino-5-chloro-1'-(2,5-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate
SMILESCOC(=O)C1=C(N)N(c2cc(Cl)ccc2Cl)C2=C(C(=O)CC(C)(C)C2)C12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C26H22Cl3N3O4/c1-25(2)10-18-20(19(33)11-25)26(14-8-12(27)5-7-16(14)31-24(26)35)21(23(34)36-3)22(30)32(18)17-9-13(28)4-6-15(17)29/h4-9H,10-11,30H2,1-3H3,(H,31,35)
InChIKeyCAFSGDXUODNCJG-UHFFFAOYSA-N
MW546.84 g/mol
LogP5.34
Rot. Bonds2

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

methyl 2'-amino-5-chloro-1'-(2,5-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate (PubChem CID 23914150) has the molecular formula C26H22Cl3N3O4 and a molecular weight of 546.84 g/mol. Its IUPAC name is methyl 2'-amino-5-chloro-1'-(2,5-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate.

Molecular Properties

Compound Namemethyl 2'-amino-5-chloro-1'-(2,5-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate
PubChem CID23914150
Molecular FormulaC26H22Cl3N3O4
Molecular Weight546.84 g/mol
Exact Mass545.07
IUPAC Namemethyl 2'-amino-5-chloro-1'-(2,5-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate
SMILESCOC(=O)C1=C(N)N(c2cc(Cl)ccc2Cl)C2=C(C(=O)CC(C)(C)C2)C12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C26H22Cl3N3O4/c1-25(2)10-18-20(19(33)11-25)26(14-8-12(27)5-7-16(14)31-24(26)35)21(23(34)36-3)22(30)32(18)17-9-13(28)4-6-15(17)29/h4-9H,10-11,30H2,1-3H3,(H,31,35)
InChIKeyCAFSGDXUODNCJG-UHFFFAOYSA-N
XLogP5.34
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.84
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

ethyl 2'-amino-5-chloro-1'-(2,4-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate
CID 23942125
ethyl 2'-amino-5-chloro-1'-(2,3-dimethylphenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate
CID 23970025
methyl 2'-amino-1'-(4-chlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate
CID 23858284
methyl 2'-amino-5-bromo-1'-(3-chloro-4-methylphenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate
CID 23742831
ethyl 2'-amino-1'-(2-chlorophenyl)-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate
CID 23858278
methyl 2'-amino-1'-(2-bromophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate
CID 23970028
methyl 2'-amino-1'-(2,5-dimethylphenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate
CID 23886038
methyl 2'-amino-1'-(4-chloro-2-fluorophenyl)-5-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate
CID 23858310
ethyl 2'-amino-1'-(3-chloro-4-methylphenyl)-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate
CID 23970023
2'-amino-1'-(4-bromo-2-methylphenyl)-5-chloro-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile
CID 23832833
ethyl 2'-amino-5-chloro-1'-(3,5-dichlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate
CID 23886051
ethyl 2'-amino-5-bromo-1'-[4-(diethylamino)phenyl]-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate
CID 23914146

Frequently Asked Questions

What is the IUPAC name of methyl 2'-amino-5-chloro-1'-(2,5-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate?
The IUPAC name of methyl 2'-amino-5-chloro-1'-(2,5-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate (CID 23914150) is methyl 2'-amino-5-chloro-1'-(2,5-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate.
What is the SMILES notation for methyl 2'-amino-5-chloro-1'-(2,5-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate?
The canonical SMILES for methyl 2'-amino-5-chloro-1'-(2,5-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate is COC(=O)C1=C(N)N(c2cc(Cl)ccc2Cl)C2=C(C(=O)CC(C)(C)C2)C12C(=O)Nc1ccc(Cl)cc12.
What is the InChIKey of methyl 2'-amino-5-chloro-1'-(2,5-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate?
The InChIKey is CAFSGDXUODNCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl3N3O4/c1-25(2)10-18-20(19(33)11-25)26(14-8-12(27)5-7-16(14)31-24(26)35)21(23(34)36-3)22(30)32(18)17-9-13(28)4-6-15(17)29/h4-9H,10-11,30H2,1-3H3,(H,31,35).
What are the key properties of methyl 2'-amino-5-chloro-1'-(2,5-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate?
methyl 2'-amino-5-chloro-1'-(2,5-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate has a molecular weight of 546.84 g/mol, XLogP of 5.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2'-amino-5-chloro-1'-(2,5-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate is sourced from PubChem (CID 23914150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).