3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)furan-2,5-dione

C25H20N2O3 — CID 10092139

IUPAC3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)furan-2,5-dione
SMILESCn1cc(C2=C(c3c4n(c5ccccc35)CCCC4)C(=O)OC2=O)c2ccccc21
InChIInChI=1S/C25H20N2O3/c1-26-14-17(15-8-2-4-10-18(15)26)22-23(25(29)30-24(22)28)21-16-9-3-5-11-19(16)27-13-7-6-12-20(21)27/h2-5,8-11,14H,6-7,12-13H2,1H3
InChIKeyLZGZDJLHUOSEJY-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.46
Rot. Bonds2

About 3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)furan-2,5-dione

3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)furan-2,5-dione (PubChem CID 10092139) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)furan-2,5-dione.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)furan-2,5-dione
PubChem CID10092139
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Name3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)furan-2,5-dione
SMILESCn1cc(C2=C(c3c4n(c5ccccc35)CCCC4)C(=O)OC2=O)c2ccccc21
InChIInChI=1S/C25H20N2O3/c1-26-14-17(15-8-2-4-10-18(15)26)22-23(25(29)30-24(22)28)21-16-9-3-5-11-19(16)27-13-7-6-12-20(21)27/h2-5,8-11,14H,6-7,12-13H2,1H3
InChIKeyLZGZDJLHUOSEJY-UHFFFAOYSA-N
XLogP4.46
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)furan-2,5-dione?
The IUPAC name of 3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)furan-2,5-dione (CID 10092139) is 3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)furan-2,5-dione.
What is the SMILES notation for 3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)furan-2,5-dione?
The canonical SMILES for 3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)furan-2,5-dione is Cn1cc(C2=C(c3c4n(c5ccccc35)CCCC4)C(=O)OC2=O)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)furan-2,5-dione?
The InChIKey is LZGZDJLHUOSEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3/c1-26-14-17(15-8-2-4-10-18(15)26)22-23(25(29)30-24(22)28)21-16-9-3-5-11-19(16)27-13-7-6-12-20(21)27/h2-5,8-11,14H,6-7,12-13H2,1H3.
What are the key properties of 3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)furan-2,5-dione?
3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)furan-2,5-dione has a molecular weight of 396.45 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)furan-2,5-dione is sourced from PubChem (CID 10092139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).