8-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]-1,13-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-13-carbaldehyde

C28H24N4O3 — CID 19095937

IUPAC8-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]-1,13-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-13-carbaldehyde
SMILESCn1cc(C2=C(c3c4n(c5ccccc35)CC3CN(C=O)CC3C4)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C28H24N4O3/c1-30-14-20(18-6-2-4-8-21(18)30)25-26(28(35)29-27(25)34)24-19-7-3-5-9-22(19)32-13-17-12-31(15-33)11-16(17)10-23(24)32/h2-9,14-17H,10-13H2,1H3,(H,29,34,35)
InChIKeyFZGJNTBJEGAOMU-UHFFFAOYSA-N
MW464.53 g/mol
LogP2.96
Rot. Bonds3

About 8-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]-1,13-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-13-carbaldehyde

8-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]-1,13-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-13-carbaldehyde (PubChem CID 19095937) has the molecular formula C28H24N4O3 and a molecular weight of 464.53 g/mol. Its IUPAC name is 8-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]-1,13-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-13-carbaldehyde.

Molecular Properties

Compound Name8-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]-1,13-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-13-carbaldehyde
PubChem CID19095937
Molecular FormulaC28H24N4O3
Molecular Weight464.53 g/mol
Exact Mass464.18
IUPAC Name8-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]-1,13-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-13-carbaldehyde
SMILESCn1cc(C2=C(c3c4n(c5ccccc35)CC3CN(C=O)CC3C4)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C28H24N4O3/c1-30-14-20(18-6-2-4-8-21(18)30)25-26(28(35)29-27(25)34)24-19-7-3-5-9-22(19)32-13-17-12-31(15-33)11-16(17)10-23(24)32/h2-9,14-17H,10-13H2,1H3,(H,29,34,35)
InChIKeyFZGJNTBJEGAOMU-UHFFFAOYSA-N
XLogP2.96
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]-1,13-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-13-carbaldehyde?
The IUPAC name of 8-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]-1,13-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-13-carbaldehyde (CID 19095937) is 8-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]-1,13-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-13-carbaldehyde.
What is the SMILES notation for 8-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]-1,13-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-13-carbaldehyde?
The canonical SMILES for 8-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]-1,13-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-13-carbaldehyde is Cn1cc(C2=C(c3c4n(c5ccccc35)CC3CN(C=O)CC3C4)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 8-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]-1,13-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-13-carbaldehyde?
The InChIKey is FZGJNTBJEGAOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O3/c1-30-14-20(18-6-2-4-8-21(18)30)25-26(28(35)29-27(25)34)24-19-7-3-5-9-22(19)32-13-17-12-31(15-33)11-16(17)10-23(24)32/h2-9,14-17H,10-13H2,1H3,(H,29,34,35).
What are the key properties of 8-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]-1,13-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-13-carbaldehyde?
8-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]-1,13-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-13-carbaldehyde has a molecular weight of 464.53 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]-1,13-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-13-carbaldehyde is sourced from PubChem (CID 19095937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).