10-ethylphenoxazine-3,7-dicarbaldehyde

C16H13NO3 — CID 18704481

IUPAC10-ethylphenoxazine-3,7-dicarbaldehyde
SMILESCCN1c2ccc(C=O)cc2Oc2cc(C=O)ccc21
InChIInChI=1S/C16H13NO3/c1-2-17-13-5-3-11(9-18)7-15(13)20-16-8-12(10-19)4-6-14(16)17/h3-10H,2H2,1H3
InChIKeyYCBSABJEIGYNHV-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.58
Rot. Bonds3

About 10-ethylphenoxazine-3,7-dicarbaldehyde

10-ethylphenoxazine-3,7-dicarbaldehyde (PubChem CID 18704481) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 10-ethylphenoxazine-3,7-dicarbaldehyde.

Molecular Properties

Compound Name10-ethylphenoxazine-3,7-dicarbaldehyde
PubChem CID18704481
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name10-ethylphenoxazine-3,7-dicarbaldehyde
SMILESCCN1c2ccc(C=O)cc2Oc2cc(C=O)ccc21
InChIInChI=1S/C16H13NO3/c1-2-17-13-5-3-11(9-18)7-15(13)20-16-8-12(10-19)4-6-14(16)17/h3-10H,2H2,1H3
InChIKeyYCBSABJEIGYNHV-UHFFFAOYSA-N
XLogP3.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 10-ethylphenoxazine-3,7-dicarbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-ethylphenoxazine-3,7-dicarbaldehyde?
The IUPAC name of 10-ethylphenoxazine-3,7-dicarbaldehyde (CID 18704481) is 10-ethylphenoxazine-3,7-dicarbaldehyde.
What is the SMILES notation for 10-ethylphenoxazine-3,7-dicarbaldehyde?
The canonical SMILES for 10-ethylphenoxazine-3,7-dicarbaldehyde is CCN1c2ccc(C=O)cc2Oc2cc(C=O)ccc21.
What is the InChIKey of 10-ethylphenoxazine-3,7-dicarbaldehyde?
The InChIKey is YCBSABJEIGYNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-2-17-13-5-3-11(9-18)7-15(13)20-16-8-12(10-19)4-6-14(16)17/h3-10H,2H2,1H3.
What are the key properties of 10-ethylphenoxazine-3,7-dicarbaldehyde?
10-ethylphenoxazine-3,7-dicarbaldehyde has a molecular weight of 267.28 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethylphenoxazine-3,7-dicarbaldehyde is sourced from PubChem (CID 18704481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).