4-methoxy-8-octylindolo[2,1-b]quinazoline-6,12-dione

C24H26N2O3 — CID 505837

IUPAC4-methoxy-8-octylindolo[2,1-b]quinazoline-6,12-dione
SMILESCCCCCCCCc1ccc2c(c1)C(=O)c1nc3c(OC)cccc3c(=O)n1-2
InChIInChI=1S/C24H26N2O3/c1-3-4-5-6-7-8-10-16-13-14-19-18(15-16)22(27)23-25-21-17(24(28)26(19)23)11-9-12-20(21)29-2/h9,11-15H,3-8,10H2,1-2H3
InChIKeyCNOHLRWBUUCENW-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.84
Rot. Bonds8

About 4-methoxy-8-octylindolo[2,1-b]quinazoline-6,12-dione

4-methoxy-8-octylindolo[2,1-b]quinazoline-6,12-dione (PubChem CID 505837) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-methoxy-8-octylindolo[2,1-b]quinazoline-6,12-dione.

Molecular Properties

Compound Name4-methoxy-8-octylindolo[2,1-b]quinazoline-6,12-dione
PubChem CID505837
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name4-methoxy-8-octylindolo[2,1-b]quinazoline-6,12-dione
SMILESCCCCCCCCc1ccc2c(c1)C(=O)c1nc3c(OC)cccc3c(=O)n1-2
InChIInChI=1S/C24H26N2O3/c1-3-4-5-6-7-8-10-16-13-14-19-18(15-16)22(27)23-25-21-17(24(28)26(19)23)11-9-12-20(21)29-2/h9,11-15H,3-8,10H2,1-2H3
InChIKeyCNOHLRWBUUCENW-UHFFFAOYSA-N
XLogP4.84
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-8-octylindolo[2,1-b]quinazoline-6,12-dione?
The IUPAC name of 4-methoxy-8-octylindolo[2,1-b]quinazoline-6,12-dione (CID 505837) is 4-methoxy-8-octylindolo[2,1-b]quinazoline-6,12-dione.
What is the SMILES notation for 4-methoxy-8-octylindolo[2,1-b]quinazoline-6,12-dione?
The canonical SMILES for 4-methoxy-8-octylindolo[2,1-b]quinazoline-6,12-dione is CCCCCCCCc1ccc2c(c1)C(=O)c1nc3c(OC)cccc3c(=O)n1-2.
What is the InChIKey of 4-methoxy-8-octylindolo[2,1-b]quinazoline-6,12-dione?
The InChIKey is CNOHLRWBUUCENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-3-4-5-6-7-8-10-16-13-14-19-18(15-16)22(27)23-25-21-17(24(28)26(19)23)11-9-12-20(21)29-2/h9,11-15H,3-8,10H2,1-2H3.
What are the key properties of 4-methoxy-8-octylindolo[2,1-b]quinazoline-6,12-dione?
4-methoxy-8-octylindolo[2,1-b]quinazoline-6,12-dione has a molecular weight of 390.48 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-8-octylindolo[2,1-b]quinazoline-6,12-dione is sourced from PubChem (CID 505837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).