6-methyl-2-[2-[3-[2-(6-methyl-1,3-dioxopyrrolo[3,4-c]carbazol-2-yl)ethylamino]propylamino]ethyl]pyrrolo[3,4-c]carbazole-1,3-dione

C37H34N6O4 — CID 57306145

IUPAC6-methyl-2-[2-[3-[2-(6-methyl-1,3-dioxopyrrolo[3,4-c]carbazol-2-yl)ethylamino]propylamino]ethyl]pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCn1c2ccccc2c2c3c(ccc21)C(=O)N(CCNCCCNCCN1C(=O)c2ccc4c(c2C1=O)c1ccccc1n4C)C3=O
InChIInChI=1S/C37H34N6O4/c1-40-26-10-5-3-8-22(26)30-28(40)14-12-24-32(30)36(46)42(34(24)44)20-18-38-16-7-17-39-19-21-43-35(45)25-13-15-29-31(33(25)37(43)47)23-9-4-6-11-27(23)41(29)2/h3-6,8-15,38-39H,7,16-21H2,1-2H3
InChIKeyJWQZGMYBIGGYTO-UHFFFAOYSA-N
MW626.72 g/mol
LogP4.44
Rot. Bonds10

About 6-methyl-2-[2-[3-[2-(6-methyl-1,3-dioxopyrrolo[3,4-c]carbazol-2-yl)ethylamino]propylamino]ethyl]pyrrolo[3,4-c]carbazole-1,3-dione

6-methyl-2-[2-[3-[2-(6-methyl-1,3-dioxopyrrolo[3,4-c]carbazol-2-yl)ethylamino]propylamino]ethyl]pyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 57306145) has the molecular formula C37H34N6O4 and a molecular weight of 626.72 g/mol. Its IUPAC name is 6-methyl-2-[2-[3-[2-(6-methyl-1,3-dioxopyrrolo[3,4-c]carbazol-2-yl)ethylamino]propylamino]ethyl]pyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name6-methyl-2-[2-[3-[2-(6-methyl-1,3-dioxopyrrolo[3,4-c]carbazol-2-yl)ethylamino]propylamino]ethyl]pyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID57306145
Molecular FormulaC37H34N6O4
Molecular Weight626.72 g/mol
Exact Mass626.26
IUPAC Name6-methyl-2-[2-[3-[2-(6-methyl-1,3-dioxopyrrolo[3,4-c]carbazol-2-yl)ethylamino]propylamino]ethyl]pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCn1c2ccccc2c2c3c(ccc21)C(=O)N(CCNCCCNCCN1C(=O)c2ccc4c(c2C1=O)c1ccccc1n4C)C3=O
InChIInChI=1S/C37H34N6O4/c1-40-26-10-5-3-8-22(26)30-28(40)14-12-24-32(30)36(46)42(34(24)44)20-18-38-16-7-17-39-19-21-43-35(45)25-13-15-29-31(33(25)37(43)47)23-9-4-6-11-27(23)41(29)2/h3-6,8-15,38-39H,7,16-21H2,1-2H3
InChIKeyJWQZGMYBIGGYTO-UHFFFAOYSA-N
XLogP4.44
TPSA108.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500626.72
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-[3-[2-(6-methyl-1,3-dioxopyrrolo[3,4-c]carbazol-2-yl)ethylamino]propylamino]ethyl]pyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 6-methyl-2-[2-[3-[2-(6-methyl-1,3-dioxopyrrolo[3,4-c]carbazol-2-yl)ethylamino]propylamino]ethyl]pyrrolo[3,4-c]carbazole-1,3-dione (CID 57306145) is 6-methyl-2-[2-[3-[2-(6-methyl-1,3-dioxopyrrolo[3,4-c]carbazol-2-yl)ethylamino]propylamino]ethyl]pyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 6-methyl-2-[2-[3-[2-(6-methyl-1,3-dioxopyrrolo[3,4-c]carbazol-2-yl)ethylamino]propylamino]ethyl]pyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 6-methyl-2-[2-[3-[2-(6-methyl-1,3-dioxopyrrolo[3,4-c]carbazol-2-yl)ethylamino]propylamino]ethyl]pyrrolo[3,4-c]carbazole-1,3-dione is Cn1c2ccccc2c2c3c(ccc21)C(=O)N(CCNCCCNCCN1C(=O)c2ccc4c(c2C1=O)c1ccccc1n4C)C3=O.
What is the InChIKey of 6-methyl-2-[2-[3-[2-(6-methyl-1,3-dioxopyrrolo[3,4-c]carbazol-2-yl)ethylamino]propylamino]ethyl]pyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is JWQZGMYBIGGYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34N6O4/c1-40-26-10-5-3-8-22(26)30-28(40)14-12-24-32(30)36(46)42(34(24)44)20-18-38-16-7-17-39-19-21-43-35(45)25-13-15-29-31(33(25)37(43)47)23-9-4-6-11-27(23)41(29)2/h3-6,8-15,38-39H,7,16-21H2,1-2H3.
What are the key properties of 6-methyl-2-[2-[3-[2-(6-methyl-1,3-dioxopyrrolo[3,4-c]carbazol-2-yl)ethylamino]propylamino]ethyl]pyrrolo[3,4-c]carbazole-1,3-dione?
6-methyl-2-[2-[3-[2-(6-methyl-1,3-dioxopyrrolo[3,4-c]carbazol-2-yl)ethylamino]propylamino]ethyl]pyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 626.72 g/mol, XLogP of 4.44, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-[3-[2-(6-methyl-1,3-dioxopyrrolo[3,4-c]carbazol-2-yl)ethylamino]propylamino]ethyl]pyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 57306145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).