(E)-3-[3-(quinoxalin-2-ylamino)phenyl]prop-2-en-1-ol

C17H15N3O — CID 52932003

IUPAC(E)-3-[3-(quinoxalin-2-ylamino)phenyl]prop-2-en-1-ol
SMILESOC/C=C/c1cccc(Nc2cnc3ccccc3n2)c1
InChIInChI=1S/C17H15N3O/c21-10-4-6-13-5-3-7-14(11-13)19-17-12-18-15-8-1-2-9-16(15)20-17/h1-9,11-12,21H,10H2,(H,19,20)/b6-4+
InChIKeyYKSYKTRLMITDHY-GQCTYLIASA-N
MW277.33 g/mol
LogP3.38
Rot. Bonds4

About (E)-3-[3-(quinoxalin-2-ylamino)phenyl]prop-2-en-1-ol

(E)-3-[3-(quinoxalin-2-ylamino)phenyl]prop-2-en-1-ol (PubChem CID 52932003) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is (E)-3-[3-(quinoxalin-2-ylamino)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[3-(quinoxalin-2-ylamino)phenyl]prop-2-en-1-ol
PubChem CID52932003
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name(E)-3-[3-(quinoxalin-2-ylamino)phenyl]prop-2-en-1-ol
SMILESOC/C=C/c1cccc(Nc2cnc3ccccc3n2)c1
InChIInChI=1S/C17H15N3O/c21-10-4-6-13-5-3-7-14(11-13)19-17-12-18-15-8-1-2-9-16(15)20-17/h1-9,11-12,21H,10H2,(H,19,20)/b6-4+
InChIKeyYKSYKTRLMITDHY-GQCTYLIASA-N
XLogP3.38
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (E)-3-[3-(quinoxalin-2-ylamino)phenyl]prop-2-en-1-ol 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 (E)-3-[3-(quinoxalin-2-ylamino)phenyl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[3-(quinoxalin-2-ylamino)phenyl]prop-2-en-1-ol (CID 52932003) is (E)-3-[3-(quinoxalin-2-ylamino)phenyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[3-(quinoxalin-2-ylamino)phenyl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[3-(quinoxalin-2-ylamino)phenyl]prop-2-en-1-ol is OC/C=C/c1cccc(Nc2cnc3ccccc3n2)c1.
What is the InChIKey of (E)-3-[3-(quinoxalin-2-ylamino)phenyl]prop-2-en-1-ol?
The InChIKey is YKSYKTRLMITDHY-GQCTYLIASA-N. The full InChI is InChI=1S/C17H15N3O/c21-10-4-6-13-5-3-7-14(11-13)19-17-12-18-15-8-1-2-9-16(15)20-17/h1-9,11-12,21H,10H2,(H,19,20)/b6-4+.
What are the key properties of (E)-3-[3-(quinoxalin-2-ylamino)phenyl]prop-2-en-1-ol?
(E)-3-[3-(quinoxalin-2-ylamino)phenyl]prop-2-en-1-ol has a molecular weight of 277.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(quinoxalin-2-ylamino)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 52932003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).