6-(3-aminopropyl)-4-(oxan-2-yloxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione

C23H25N3O4 — CID 10126836

IUPAC6-(3-aminopropyl)-4-(oxan-2-yloxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione
SMILESNCCCn1c2ccccc2c2c3c(c(COC4CCCCO4)cc21)C(=O)NC3=O
InChIInChI=1S/C23H25N3O4/c24-9-5-10-26-16-7-2-1-6-15(16)20-17(26)12-14(13-30-18-8-3-4-11-29-18)19-21(20)23(28)25-22(19)27/h1-2,6-7,12,18H,3-5,8-11,13,24H2,(H,25,27,28)
InChIKeyNAMDNLDJKHKPQP-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.07
Rot. Bonds6

About 6-(3-aminopropyl)-4-(oxan-2-yloxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione

6-(3-aminopropyl)-4-(oxan-2-yloxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 10126836) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 6-(3-aminopropyl)-4-(oxan-2-yloxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name6-(3-aminopropyl)-4-(oxan-2-yloxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID10126836
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name6-(3-aminopropyl)-4-(oxan-2-yloxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione
SMILESNCCCn1c2ccccc2c2c3c(c(COC4CCCCO4)cc21)C(=O)NC3=O
InChIInChI=1S/C23H25N3O4/c24-9-5-10-26-16-7-2-1-6-15(16)20-17(26)12-14(13-30-18-8-3-4-11-29-18)19-21(20)23(28)25-22(19)27/h1-2,6-7,12,18H,3-5,8-11,13,24H2,(H,25,27,28)
InChIKeyNAMDNLDJKHKPQP-UHFFFAOYSA-N
XLogP3.07
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropyl)-4-(oxan-2-yloxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 6-(3-aminopropyl)-4-(oxan-2-yloxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione (CID 10126836) is 6-(3-aminopropyl)-4-(oxan-2-yloxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 6-(3-aminopropyl)-4-(oxan-2-yloxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 6-(3-aminopropyl)-4-(oxan-2-yloxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione is NCCCn1c2ccccc2c2c3c(c(COC4CCCCO4)cc21)C(=O)NC3=O.
What is the InChIKey of 6-(3-aminopropyl)-4-(oxan-2-yloxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is NAMDNLDJKHKPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c24-9-5-10-26-16-7-2-1-6-15(16)20-17(26)12-14(13-30-18-8-3-4-11-29-18)19-21(20)23(28)25-22(19)27/h1-2,6-7,12,18H,3-5,8-11,13,24H2,(H,25,27,28).
What are the key properties of 6-(3-aminopropyl)-4-(oxan-2-yloxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione?
6-(3-aminopropyl)-4-(oxan-2-yloxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 407.47 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropyl)-4-(oxan-2-yloxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 10126836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).