2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine

C22H19F2N3O — CID 45138929

IUPAC2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C22H19F2N3O/c1-27(2)7-8-28-22-20-16(14-9-12(23)3-5-18(14)25-20)11-17-15-10-13(24)4-6-19(15)26-21(17)22/h3-6,9-11,25-26H,7-8H2,1-2H3
InChIKeyJBKPZQVESIKQCS-UHFFFAOYSA-N
MW379.41 g/mol
LogP5.17
Rot. Bonds4

About 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine

2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine (PubChem CID 45138929) has the molecular formula C22H19F2N3O and a molecular weight of 379.41 g/mol. Its IUPAC name is 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine
PubChem CID45138929
Molecular FormulaC22H19F2N3O
Molecular Weight379.41 g/mol
Exact Mass379.15
IUPAC Name2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C22H19F2N3O/c1-27(2)7-8-28-22-20-16(14-9-12(23)3-5-18(14)25-20)11-17-15-10-13(24)4-6-19(15)26-21(17)22/h3-6,9-11,25-26H,7-8H2,1-2H3
InChIKeyJBKPZQVESIKQCS-UHFFFAOYSA-N
XLogP5.17
TPSA44.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.41
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine (CID 45138929) is 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine is CN(C)CCOc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12.
What is the InChIKey of 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine?
The InChIKey is JBKPZQVESIKQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O/c1-27(2)7-8-28-22-20-16(14-9-12(23)3-5-18(14)25-20)11-17-15-10-13(24)4-6-19(15)26-21(17)22/h3-6,9-11,25-26H,7-8H2,1-2H3.
What are the key properties of 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine?
2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine has a molecular weight of 379.41 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine is sourced from PubChem (CID 45138929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).