2-bromo-N-[2-(dimethylamino)ethyl]-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide

C23H21BrN4O — CID 155568711

IUPAC2-bromo-N-[2-(dimethylamino)ethyl]-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide
SMILESCN(C)CCNC(=O)c1cc2c3ccccc3[nH]c2c2c1[nH]c1ccc(Br)cc12
InChIInChI=1S/C23H21BrN4O/c1-28(2)10-9-25-23(29)17-12-15-14-5-3-4-6-18(14)26-21(15)20-16-11-13(24)7-8-19(16)27-22(17)20/h3-8,11-12,26-27H,9-10H2,1-2H3,(H,25,29)
InChIKeyWUYSUHKUGAYDJQ-UHFFFAOYSA-N
MW449.35 g/mol
LogP5.01
Rot. Bonds4

About 2-bromo-N-[2-(dimethylamino)ethyl]-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide

2-bromo-N-[2-(dimethylamino)ethyl]-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide (PubChem CID 155568711) has the molecular formula C23H21BrN4O and a molecular weight of 449.35 g/mol. Its IUPAC name is 2-bromo-N-[2-(dimethylamino)ethyl]-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[2-(dimethylamino)ethyl]-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide
PubChem CID155568711
Molecular FormulaC23H21BrN4O
Molecular Weight449.35 g/mol
Exact Mass448.09
IUPAC Name2-bromo-N-[2-(dimethylamino)ethyl]-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide
SMILESCN(C)CCNC(=O)c1cc2c3ccccc3[nH]c2c2c1[nH]c1ccc(Br)cc12
InChIInChI=1S/C23H21BrN4O/c1-28(2)10-9-25-23(29)17-12-15-14-5-3-4-6-18(14)26-21(15)20-16-11-13(24)7-8-19(16)27-22(17)20/h3-8,11-12,26-27H,9-10H2,1-2H3,(H,25,29)
InChIKeyWUYSUHKUGAYDJQ-UHFFFAOYSA-N
XLogP5.01
TPSA63.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.35
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(dimethylamino)ethyl]-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide?
The IUPAC name of 2-bromo-N-[2-(dimethylamino)ethyl]-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide (CID 155568711) is 2-bromo-N-[2-(dimethylamino)ethyl]-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide.
What is the SMILES notation for 2-bromo-N-[2-(dimethylamino)ethyl]-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide?
The canonical SMILES for 2-bromo-N-[2-(dimethylamino)ethyl]-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide is CN(C)CCNC(=O)c1cc2c3ccccc3[nH]c2c2c1[nH]c1ccc(Br)cc12.
What is the InChIKey of 2-bromo-N-[2-(dimethylamino)ethyl]-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide?
The InChIKey is WUYSUHKUGAYDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN4O/c1-28(2)10-9-25-23(29)17-12-15-14-5-3-4-6-18(14)26-21(15)20-16-11-13(24)7-8-19(16)27-22(17)20/h3-8,11-12,26-27H,9-10H2,1-2H3,(H,25,29).
What are the key properties of 2-bromo-N-[2-(dimethylamino)ethyl]-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide?
2-bromo-N-[2-(dimethylamino)ethyl]-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide has a molecular weight of 449.35 g/mol, XLogP of 5.01, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(dimethylamino)ethyl]-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide is sourced from PubChem (CID 155568711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).