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

C27H24Cl3N3O4 — CID 23942125

IUPACethyl 2'-amino-5-chloro-1'-(2,4-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate
SMILESCCOC(=O)C1=C(N)N(c2ccc(Cl)cc2Cl)C2=C(C(=O)CC(C)(C)C2)C12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C27H24Cl3N3O4/c1-4-37-24(35)22-23(31)33(18-8-6-14(29)10-16(18)30)19-11-26(2,3)12-20(34)21(19)27(22)15-9-13(28)5-7-17(15)32-25(27)36/h5-10H,4,11-12,31H2,1-3H3,(H,32,36)
InChIKeySWMBXUGJXZOZCZ-UHFFFAOYSA-N
MW560.87 g/mol
LogP5.73
Rot. Bonds3

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

ethyl 2'-amino-5-chloro-1'-(2,4-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate (PubChem CID 23942125) has the molecular formula C27H24Cl3N3O4 and a molecular weight of 560.87 g/mol. Its IUPAC name is ethyl 2'-amino-5-chloro-1'-(2,4-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate.

Molecular Properties

Compound Nameethyl 2'-amino-5-chloro-1'-(2,4-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate
PubChem CID23942125
Molecular FormulaC27H24Cl3N3O4
Molecular Weight560.87 g/mol
Exact Mass559.08
IUPAC Nameethyl 2'-amino-5-chloro-1'-(2,4-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate
SMILESCCOC(=O)C1=C(N)N(c2ccc(Cl)cc2Cl)C2=C(C(=O)CC(C)(C)C2)C12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C27H24Cl3N3O4/c1-4-37-24(35)22-23(31)33(18-8-6-14(29)10-16(18)30)19-11-26(2,3)12-20(34)21(19)27(22)15-9-13(28)5-7-17(15)32-25(27)36/h5-10H,4,11-12,31H2,1-3H3,(H,32,36)
InChIKeySWMBXUGJXZOZCZ-UHFFFAOYSA-N
XLogP5.73
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.87
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2'-amino-5-chloro-1'-(2,4-dichlorophenyl)-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 ethyl 2'-amino-5-chloro-1'-(2,4-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate?
The IUPAC name of 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) is ethyl 2'-amino-5-chloro-1'-(2,4-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate.
What is the SMILES notation for ethyl 2'-amino-5-chloro-1'-(2,4-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate?
The canonical SMILES for ethyl 2'-amino-5-chloro-1'-(2,4-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate is CCOC(=O)C1=C(N)N(c2ccc(Cl)cc2Cl)C2=C(C(=O)CC(C)(C)C2)C12C(=O)Nc1ccc(Cl)cc12.
What is the InChIKey of ethyl 2'-amino-5-chloro-1'-(2,4-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate?
The InChIKey is SWMBXUGJXZOZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl3N3O4/c1-4-37-24(35)22-23(31)33(18-8-6-14(29)10-16(18)30)19-11-26(2,3)12-20(34)21(19)27(22)15-9-13(28)5-7-17(15)32-25(27)36/h5-10H,4,11-12,31H2,1-3H3,(H,32,36).
What are the key properties of ethyl 2'-amino-5-chloro-1'-(2,4-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate?
ethyl 2'-amino-5-chloro-1'-(2,4-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate has a molecular weight of 560.87 g/mol, XLogP of 5.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2'-amino-5-chloro-1'-(2,4-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate is sourced from PubChem (CID 23942125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).