1,3-bis[2-(dimethylamino)ethyl]-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxamide

C29H34N6O3 — CID 68650941

IUPAC1,3-bis[2-(dimethylamino)ethyl]-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxamide
SMILESCOc1c2[nH]c3ccc(C(N)=O)cc3c2cc2c1[nH]c1cc(CCN(C)C)c(C(N)=O)c(CCN(C)C)c12
InChIInChI=1S/C29H34N6O3/c1-34(2)10-8-15-13-22-24(17(9-11-35(3)4)23(15)29(31)37)20-14-19-18-12-16(28(30)36)6-7-21(18)32-25(19)27(38-5)26(20)33-22/h6-7,12-14,32-33H,8-11H2,1-5H3,(H2,30,36)(H2,31,37)
InChIKeyXFSUBVKKNQWAGJ-UHFFFAOYSA-N
MW514.63 g/mol
LogP3.37
Rot. Bonds9

About 1,3-bis[2-(dimethylamino)ethyl]-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxamide

1,3-bis[2-(dimethylamino)ethyl]-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxamide (PubChem CID 68650941) has the molecular formula C29H34N6O3 and a molecular weight of 514.63 g/mol. Its IUPAC name is 1,3-bis[2-(dimethylamino)ethyl]-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxamide.

Molecular Properties

Compound Name1,3-bis[2-(dimethylamino)ethyl]-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxamide
PubChem CID68650941
Molecular FormulaC29H34N6O3
Molecular Weight514.63 g/mol
Exact Mass514.27
IUPAC Name1,3-bis[2-(dimethylamino)ethyl]-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxamide
SMILESCOc1c2[nH]c3ccc(C(N)=O)cc3c2cc2c1[nH]c1cc(CCN(C)C)c(C(N)=O)c(CCN(C)C)c12
InChIInChI=1S/C29H34N6O3/c1-34(2)10-8-15-13-22-24(17(9-11-35(3)4)23(15)29(31)37)20-14-19-18-12-16(28(30)36)6-7-21(18)32-25(19)27(38-5)26(20)33-22/h6-7,12-14,32-33H,8-11H2,1-5H3,(H2,30,36)(H2,31,37)
InChIKeyXFSUBVKKNQWAGJ-UHFFFAOYSA-N
XLogP3.37
TPSA133.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.63
LogP ≤ 53.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1,3-bis[2-(dimethylamino)ethyl]-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-(dimethylamino)ethyl]-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxamide?
The IUPAC name of 1,3-bis[2-(dimethylamino)ethyl]-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxamide (CID 68650941) is 1,3-bis[2-(dimethylamino)ethyl]-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxamide.
What is the SMILES notation for 1,3-bis[2-(dimethylamino)ethyl]-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxamide?
The canonical SMILES for 1,3-bis[2-(dimethylamino)ethyl]-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxamide is COc1c2[nH]c3ccc(C(N)=O)cc3c2cc2c1[nH]c1cc(CCN(C)C)c(C(N)=O)c(CCN(C)C)c12.
What is the InChIKey of 1,3-bis[2-(dimethylamino)ethyl]-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxamide?
The InChIKey is XFSUBVKKNQWAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O3/c1-34(2)10-8-15-13-22-24(17(9-11-35(3)4)23(15)29(31)37)20-14-19-18-12-16(28(30)36)6-7-21(18)32-25(19)27(38-5)26(20)33-22/h6-7,12-14,32-33H,8-11H2,1-5H3,(H2,30,36)(H2,31,37).
What are the key properties of 1,3-bis[2-(dimethylamino)ethyl]-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxamide?
1,3-bis[2-(dimethylamino)ethyl]-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxamide has a molecular weight of 514.63 g/mol, XLogP of 3.37, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(dimethylamino)ethyl]-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxamide is sourced from PubChem (CID 68650941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).