ethyl 4-bromo-6-butyl-2,7-dimethylfuro[3,2-e]indole-8-carboxylate

C19H22BrNO3 — CID 124823452

IUPACethyl 4-bromo-6-butyl-2,7-dimethylfuro[3,2-e]indole-8-carboxylate
SMILESCCCCn1c(C)c(C(=O)OCC)c2c3cc(C)oc3c(Br)cc21
InChIInChI=1S/C19H22BrNO3/c1-5-7-8-21-12(4)16(19(22)23-6-2)17-13-9-11(3)24-18(13)14(20)10-15(17)21/h9-10H,5-8H2,1-4H3
InChIKeyAGRDCMHGPYTGLK-UHFFFAOYSA-N
MW392.29 g/mol
LogP5.74
Rot. Bonds5

About ethyl 4-bromo-6-butyl-2,7-dimethylfuro[3,2-e]indole-8-carboxylate

ethyl 4-bromo-6-butyl-2,7-dimethylfuro[3,2-e]indole-8-carboxylate (PubChem CID 124823452) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is ethyl 4-bromo-6-butyl-2,7-dimethylfuro[3,2-e]indole-8-carboxylate.

Molecular Properties

Compound Nameethyl 4-bromo-6-butyl-2,7-dimethylfuro[3,2-e]indole-8-carboxylate
PubChem CID124823452
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Nameethyl 4-bromo-6-butyl-2,7-dimethylfuro[3,2-e]indole-8-carboxylate
SMILESCCCCn1c(C)c(C(=O)OCC)c2c3cc(C)oc3c(Br)cc21
InChIInChI=1S/C19H22BrNO3/c1-5-7-8-21-12(4)16(19(22)23-6-2)17-13-9-11(3)24-18(13)14(20)10-15(17)21/h9-10H,5-8H2,1-4H3
InChIKeyAGRDCMHGPYTGLK-UHFFFAOYSA-N
XLogP5.74
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.29
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-bromo-6-butyl-2,7-dimethylfuro[3,2-e]indole-8-carboxylate?
The IUPAC name of ethyl 4-bromo-6-butyl-2,7-dimethylfuro[3,2-e]indole-8-carboxylate (CID 124823452) is ethyl 4-bromo-6-butyl-2,7-dimethylfuro[3,2-e]indole-8-carboxylate.
What is the SMILES notation for ethyl 4-bromo-6-butyl-2,7-dimethylfuro[3,2-e]indole-8-carboxylate?
The canonical SMILES for ethyl 4-bromo-6-butyl-2,7-dimethylfuro[3,2-e]indole-8-carboxylate is CCCCn1c(C)c(C(=O)OCC)c2c3cc(C)oc3c(Br)cc21.
What is the InChIKey of ethyl 4-bromo-6-butyl-2,7-dimethylfuro[3,2-e]indole-8-carboxylate?
The InChIKey is AGRDCMHGPYTGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-5-7-8-21-12(4)16(19(22)23-6-2)17-13-9-11(3)24-18(13)14(20)10-15(17)21/h9-10H,5-8H2,1-4H3.
What are the key properties of ethyl 4-bromo-6-butyl-2,7-dimethylfuro[3,2-e]indole-8-carboxylate?
ethyl 4-bromo-6-butyl-2,7-dimethylfuro[3,2-e]indole-8-carboxylate has a molecular weight of 392.29 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-bromo-6-butyl-2,7-dimethylfuro[3,2-e]indole-8-carboxylate is sourced from PubChem (CID 124823452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).