6-methoxy-2-[3-[3-(6-methoxy-9,10-dimethyl-1,3-dioxopyrrolo[3,4-b]carbazol-2-yl)propyl-methylamino]propyl]-9,10-dimethylpyrrolo[3,4-b]carbazole-1,3-dione

C41H41N5O6 — CID 54288853

IUPAC6-methoxy-2-[3-[3-(6-methoxy-9,10-dimethyl-1,3-dioxopyrrolo[3,4-b]carbazol-2-yl)propyl-methylamino]propyl]-9,10-dimethylpyrrolo[3,4-b]carbazole-1,3-dione
SMILESCOc1ccc2c(c1)c1cc3c(c(C)c1n2C)C(=O)N(CCCN(C)CCCN1C(=O)c2cc4c5cc(OC)ccc5n(C)c4c(C)c2C1=O)C3=O
InChIInChI=1S/C41H41N5O6/c1-22-34-30(20-28-26-18-24(51-6)10-12-32(26)43(4)36(22)28)38(47)45(40(34)49)16-8-14-42(3)15-9-17-46-39(48)31-21-29-27-19-25(52-7)11-13-33(27)44(5)37(29)23(2)35(31)41(46)50/h10-13,18-21H,8-9,14-17H2,1-7H3
InChIKeyRWBPYPCOILDRGU-UHFFFAOYSA-N
MW699.81 g/mol
LogP6.21
Rot. Bonds10

About 6-methoxy-2-[3-[3-(6-methoxy-9,10-dimethyl-1,3-dioxopyrrolo[3,4-b]carbazol-2-yl)propyl-methylamino]propyl]-9,10-dimethylpyrrolo[3,4-b]carbazole-1,3-dione

6-methoxy-2-[3-[3-(6-methoxy-9,10-dimethyl-1,3-dioxopyrrolo[3,4-b]carbazol-2-yl)propyl-methylamino]propyl]-9,10-dimethylpyrrolo[3,4-b]carbazole-1,3-dione (PubChem CID 54288853) has the molecular formula C41H41N5O6 and a molecular weight of 699.81 g/mol. Its IUPAC name is 6-methoxy-2-[3-[3-(6-methoxy-9,10-dimethyl-1,3-dioxopyrrolo[3,4-b]carbazol-2-yl)propyl-methylamino]propyl]-9,10-dimethylpyrrolo[3,4-b]carbazole-1,3-dione.

Molecular Properties

Compound Name6-methoxy-2-[3-[3-(6-methoxy-9,10-dimethyl-1,3-dioxopyrrolo[3,4-b]carbazol-2-yl)propyl-methylamino]propyl]-9,10-dimethylpyrrolo[3,4-b]carbazole-1,3-dione
PubChem CID54288853
Molecular FormulaC41H41N5O6
Molecular Weight699.81 g/mol
Exact Mass699.31
IUPAC Name6-methoxy-2-[3-[3-(6-methoxy-9,10-dimethyl-1,3-dioxopyrrolo[3,4-b]carbazol-2-yl)propyl-methylamino]propyl]-9,10-dimethylpyrrolo[3,4-b]carbazole-1,3-dione
SMILESCOc1ccc2c(c1)c1cc3c(c(C)c1n2C)C(=O)N(CCCN(C)CCCN1C(=O)c2cc4c5cc(OC)ccc5n(C)c4c(C)c2C1=O)C3=O
InChIInChI=1S/C41H41N5O6/c1-22-34-30(20-28-26-18-24(51-6)10-12-32(26)43(4)36(22)28)38(47)45(40(34)49)16-8-14-42(3)15-9-17-46-39(48)31-21-29-27-19-25(52-7)11-13-33(27)44(5)37(29)23(2)35(31)41(46)50/h10-13,18-21H,8-9,14-17H2,1-7H3
InChIKeyRWBPYPCOILDRGU-UHFFFAOYSA-N
XLogP6.21
TPSA106.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.81
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-methoxy-2-[3-[3-(6-methoxy-9,10-dimethyl-1,3-dioxopyrrolo[3,4-b]carbazol-2-yl)propyl-methylamino]propyl]-9,10-dimethylpyrrolo[3,4-b]carbazole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[3-[3-(6-methoxy-9,10-dimethyl-1,3-dioxopyrrolo[3,4-b]carbazol-2-yl)propyl-methylamino]propyl]-9,10-dimethylpyrrolo[3,4-b]carbazole-1,3-dione?
The IUPAC name of 6-methoxy-2-[3-[3-(6-methoxy-9,10-dimethyl-1,3-dioxopyrrolo[3,4-b]carbazol-2-yl)propyl-methylamino]propyl]-9,10-dimethylpyrrolo[3,4-b]carbazole-1,3-dione (CID 54288853) is 6-methoxy-2-[3-[3-(6-methoxy-9,10-dimethyl-1,3-dioxopyrrolo[3,4-b]carbazol-2-yl)propyl-methylamino]propyl]-9,10-dimethylpyrrolo[3,4-b]carbazole-1,3-dione.
What is the SMILES notation for 6-methoxy-2-[3-[3-(6-methoxy-9,10-dimethyl-1,3-dioxopyrrolo[3,4-b]carbazol-2-yl)propyl-methylamino]propyl]-9,10-dimethylpyrrolo[3,4-b]carbazole-1,3-dione?
The canonical SMILES for 6-methoxy-2-[3-[3-(6-methoxy-9,10-dimethyl-1,3-dioxopyrrolo[3,4-b]carbazol-2-yl)propyl-methylamino]propyl]-9,10-dimethylpyrrolo[3,4-b]carbazole-1,3-dione is COc1ccc2c(c1)c1cc3c(c(C)c1n2C)C(=O)N(CCCN(C)CCCN1C(=O)c2cc4c5cc(OC)ccc5n(C)c4c(C)c2C1=O)C3=O.
What is the InChIKey of 6-methoxy-2-[3-[3-(6-methoxy-9,10-dimethyl-1,3-dioxopyrrolo[3,4-b]carbazol-2-yl)propyl-methylamino]propyl]-9,10-dimethylpyrrolo[3,4-b]carbazole-1,3-dione?
The InChIKey is RWBPYPCOILDRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H41N5O6/c1-22-34-30(20-28-26-18-24(51-6)10-12-32(26)43(4)36(22)28)38(47)45(40(34)49)16-8-14-42(3)15-9-17-46-39(48)31-21-29-27-19-25(52-7)11-13-33(27)44(5)37(29)23(2)35(31)41(46)50/h10-13,18-21H,8-9,14-17H2,1-7H3.
What are the key properties of 6-methoxy-2-[3-[3-(6-methoxy-9,10-dimethyl-1,3-dioxopyrrolo[3,4-b]carbazol-2-yl)propyl-methylamino]propyl]-9,10-dimethylpyrrolo[3,4-b]carbazole-1,3-dione?
6-methoxy-2-[3-[3-(6-methoxy-9,10-dimethyl-1,3-dioxopyrrolo[3,4-b]carbazol-2-yl)propyl-methylamino]propyl]-9,10-dimethylpyrrolo[3,4-b]carbazole-1,3-dione has a molecular weight of 699.81 g/mol, XLogP of 6.21, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[3-[3-(6-methoxy-9,10-dimethyl-1,3-dioxopyrrolo[3,4-b]carbazol-2-yl)propyl-methylamino]propyl]-9,10-dimethylpyrrolo[3,4-b]carbazole-1,3-dione is sourced from PubChem (CID 54288853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).