6-methylindolo[3,2-b]quinoxaline-8-carbaldehyde

C16H11N3O — CID 23354029

IUPAC6-methylindolo[3,2-b]quinoxaline-8-carbaldehyde
SMILESCn1c2cc(C=O)ccc2c2nc3ccccc3nc21
InChIInChI=1S/C16H11N3O/c1-19-14-8-10(9-20)6-7-11(14)15-16(19)18-13-5-3-2-4-12(13)17-15/h2-9H,1H3
InChIKeyPSHVYWONGNYRBM-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.09
Rot. Bonds1

About 6-methylindolo[3,2-b]quinoxaline-8-carbaldehyde

6-methylindolo[3,2-b]quinoxaline-8-carbaldehyde (PubChem CID 23354029) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 6-methylindolo[3,2-b]quinoxaline-8-carbaldehyde.

Molecular Properties

Compound Name6-methylindolo[3,2-b]quinoxaline-8-carbaldehyde
PubChem CID23354029
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name6-methylindolo[3,2-b]quinoxaline-8-carbaldehyde
SMILESCn1c2cc(C=O)ccc2c2nc3ccccc3nc21
InChIInChI=1S/C16H11N3O/c1-19-14-8-10(9-20)6-7-11(14)15-16(19)18-13-5-3-2-4-12(13)17-15/h2-9H,1H3
InChIKeyPSHVYWONGNYRBM-UHFFFAOYSA-N
XLogP3.09
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methylindolo[3,2-b]quinoxaline-8-carbaldehyde?
The IUPAC name of 6-methylindolo[3,2-b]quinoxaline-8-carbaldehyde (CID 23354029) is 6-methylindolo[3,2-b]quinoxaline-8-carbaldehyde.
What is the SMILES notation for 6-methylindolo[3,2-b]quinoxaline-8-carbaldehyde?
The canonical SMILES for 6-methylindolo[3,2-b]quinoxaline-8-carbaldehyde is Cn1c2cc(C=O)ccc2c2nc3ccccc3nc21.
What is the InChIKey of 6-methylindolo[3,2-b]quinoxaline-8-carbaldehyde?
The InChIKey is PSHVYWONGNYRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c1-19-14-8-10(9-20)6-7-11(14)15-16(19)18-13-5-3-2-4-12(13)17-15/h2-9H,1H3.
What are the key properties of 6-methylindolo[3,2-b]quinoxaline-8-carbaldehyde?
6-methylindolo[3,2-b]quinoxaline-8-carbaldehyde has a molecular weight of 261.28 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylindolo[3,2-b]quinoxaline-8-carbaldehyde is sourced from PubChem (CID 23354029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).