2-[(2,10-dichloro-12-pyrrolidin-1-yl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine

C26H26Cl2N4O — CID 59238971

IUPAC2-[(2,10-dichloro-12-pyrrolidin-1-yl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1c2[nH]c3ccc(Cl)cc3c2c(N2CCCC2)c2c1[nH]c1ccc(Cl)cc12
InChIInChI=1S/C26H26Cl2N4O/c1-31(2)11-12-33-26-23-21(17-13-15(27)5-7-19(17)29-23)25(32-9-3-4-10-32)22-18-14-16(28)6-8-20(18)30-24(22)26/h5-8,13-14,29-30H,3-4,9-12H2,1-2H3
InChIKeyPXMRSGRVAZSVJQ-UHFFFAOYSA-N
MW481.43 g/mol
LogP6.80
Rot. Bonds5

About 2-[(2,10-dichloro-12-pyrrolidin-1-yl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine

2-[(2,10-dichloro-12-pyrrolidin-1-yl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine (PubChem CID 59238971) has the molecular formula C26H26Cl2N4O and a molecular weight of 481.43 g/mol. Its IUPAC name is 2-[(2,10-dichloro-12-pyrrolidin-1-yl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(2,10-dichloro-12-pyrrolidin-1-yl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine
PubChem CID59238971
Molecular FormulaC26H26Cl2N4O
Molecular Weight481.43 g/mol
Exact Mass480.15
IUPAC Name2-[(2,10-dichloro-12-pyrrolidin-1-yl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1c2[nH]c3ccc(Cl)cc3c2c(N2CCCC2)c2c1[nH]c1ccc(Cl)cc12
InChIInChI=1S/C26H26Cl2N4O/c1-31(2)11-12-33-26-23-21(17-13-15(27)5-7-19(17)29-23)25(32-9-3-4-10-32)22-18-14-16(28)6-8-20(18)30-24(22)26/h5-8,13-14,29-30H,3-4,9-12H2,1-2H3
InChIKeyPXMRSGRVAZSVJQ-UHFFFAOYSA-N
XLogP6.80
TPSA47.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.43
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,10-dichloro-12-pyrrolidin-1-yl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[(2,10-dichloro-12-pyrrolidin-1-yl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine (CID 59238971) is 2-[(2,10-dichloro-12-pyrrolidin-1-yl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(2,10-dichloro-12-pyrrolidin-1-yl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(2,10-dichloro-12-pyrrolidin-1-yl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine is CN(C)CCOc1c2[nH]c3ccc(Cl)cc3c2c(N2CCCC2)c2c1[nH]c1ccc(Cl)cc12.
What is the InChIKey of 2-[(2,10-dichloro-12-pyrrolidin-1-yl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine?
The InChIKey is PXMRSGRVAZSVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N4O/c1-31(2)11-12-33-26-23-21(17-13-15(27)5-7-19(17)29-23)25(32-9-3-4-10-32)22-18-14-16(28)6-8-20(18)30-24(22)26/h5-8,13-14,29-30H,3-4,9-12H2,1-2H3.
What are the key properties of 2-[(2,10-dichloro-12-pyrrolidin-1-yl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine?
2-[(2,10-dichloro-12-pyrrolidin-1-yl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine has a molecular weight of 481.43 g/mol, XLogP of 6.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,10-dichloro-12-pyrrolidin-1-yl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine is sourced from PubChem (CID 59238971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).