3-[4-(aminomethyl)phenyl]-6-(6-methoxy-3-pyridinyl)-2-phenylquinoxalin-5-ol

C27H22N4O2 — CID 135934868

IUPAC3-[4-(aminomethyl)phenyl]-6-(6-methoxy-3-pyridinyl)-2-phenylquinoxalin-5-ol
SMILESCOc1ccc(-c2ccc3nc(-c4ccccc4)c(-c4ccc(CN)cc4)nc3c2O)cn1
InChIInChI=1S/C27H22N4O2/c1-33-23-14-11-20(16-29-23)21-12-13-22-26(27(21)32)31-25(19-9-7-17(15-28)8-10-19)24(30-22)18-5-3-2-4-6-18/h2-14,16,32H,15,28H2,1H3
InChIKeyQDOXKRBFAGXHJQ-UHFFFAOYSA-N
MW434.50 g/mol
LogP5.20
Rot. Bonds5

About 3-[4-(aminomethyl)phenyl]-6-(6-methoxy-3-pyridinyl)-2-phenylquinoxalin-5-ol

3-[4-(aminomethyl)phenyl]-6-(6-methoxy-3-pyridinyl)-2-phenylquinoxalin-5-ol (PubChem CID 135934868) has the molecular formula C27H22N4O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-[4-(aminomethyl)phenyl]-6-(6-methoxy-3-pyridinyl)-2-phenylquinoxalin-5-ol.

Molecular Properties

Compound Name3-[4-(aminomethyl)phenyl]-6-(6-methoxy-3-pyridinyl)-2-phenylquinoxalin-5-ol
PubChem CID135934868
Molecular FormulaC27H22N4O2
Molecular Weight434.50 g/mol
Exact Mass434.17
IUPAC Name3-[4-(aminomethyl)phenyl]-6-(6-methoxy-3-pyridinyl)-2-phenylquinoxalin-5-ol
SMILESCOc1ccc(-c2ccc3nc(-c4ccccc4)c(-c4ccc(CN)cc4)nc3c2O)cn1
InChIInChI=1S/C27H22N4O2/c1-33-23-14-11-20(16-29-23)21-12-13-22-26(27(21)32)31-25(19-9-7-17(15-28)8-10-19)24(30-22)18-5-3-2-4-6-18/h2-14,16,32H,15,28H2,1H3
InChIKeyQDOXKRBFAGXHJQ-UHFFFAOYSA-N
XLogP5.20
TPSA94.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-(aminomethyl)phenyl]-6-(6-methoxy-3-pyridinyl)-2-phenylquinoxalin-5-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 3-[4-(aminomethyl)phenyl]-6-(6-methoxy-3-pyridinyl)-2-phenylquinoxalin-5-ol?
The IUPAC name of 3-[4-(aminomethyl)phenyl]-6-(6-methoxy-3-pyridinyl)-2-phenylquinoxalin-5-ol (CID 135934868) is 3-[4-(aminomethyl)phenyl]-6-(6-methoxy-3-pyridinyl)-2-phenylquinoxalin-5-ol.
What is the SMILES notation for 3-[4-(aminomethyl)phenyl]-6-(6-methoxy-3-pyridinyl)-2-phenylquinoxalin-5-ol?
The canonical SMILES for 3-[4-(aminomethyl)phenyl]-6-(6-methoxy-3-pyridinyl)-2-phenylquinoxalin-5-ol is COc1ccc(-c2ccc3nc(-c4ccccc4)c(-c4ccc(CN)cc4)nc3c2O)cn1.
What is the InChIKey of 3-[4-(aminomethyl)phenyl]-6-(6-methoxy-3-pyridinyl)-2-phenylquinoxalin-5-ol?
The InChIKey is QDOXKRBFAGXHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O2/c1-33-23-14-11-20(16-29-23)21-12-13-22-26(27(21)32)31-25(19-9-7-17(15-28)8-10-19)24(30-22)18-5-3-2-4-6-18/h2-14,16,32H,15,28H2,1H3.
What are the key properties of 3-[4-(aminomethyl)phenyl]-6-(6-methoxy-3-pyridinyl)-2-phenylquinoxalin-5-ol?
3-[4-(aminomethyl)phenyl]-6-(6-methoxy-3-pyridinyl)-2-phenylquinoxalin-5-ol has a molecular weight of 434.50 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)phenyl]-6-(6-methoxy-3-pyridinyl)-2-phenylquinoxalin-5-ol is sourced from PubChem (CID 135934868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).