6-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine

C21H14N4O — CID 70798486

IUPAC6-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine
SMILESNc1noc2cc(-c3ccc4nccc(-c5ccncc5)c4c3)ccc12
InChIInChI=1S/C21H14N4O/c22-21-17-3-1-15(12-20(17)26-25-21)14-2-4-19-18(11-14)16(7-10-24-19)13-5-8-23-9-6-13/h1-12H,(H2,22,25)
InChIKeyVFCZRUPENIXNRU-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.69
Rot. Bonds2

About 6-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine

6-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine (PubChem CID 70798486) has the molecular formula C21H14N4O and a molecular weight of 338.37 g/mol. Its IUPAC name is 6-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name6-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine
PubChem CID70798486
Molecular FormulaC21H14N4O
Molecular Weight338.37 g/mol
Exact Mass338.12
IUPAC Name6-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine
SMILESNc1noc2cc(-c3ccc4nccc(-c5ccncc5)c4c3)ccc12
InChIInChI=1S/C21H14N4O/c22-21-17-3-1-15(12-20(17)26-25-21)14-2-4-19-18(11-14)16(7-10-24-19)13-5-8-23-9-6-13/h1-12H,(H2,22,25)
InChIKeyVFCZRUPENIXNRU-UHFFFAOYSA-N
XLogP4.69
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine 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 6-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine?
The IUPAC name of 6-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine (CID 70798486) is 6-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine.
What is the SMILES notation for 6-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine?
The canonical SMILES for 6-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine is Nc1noc2cc(-c3ccc4nccc(-c5ccncc5)c4c3)ccc12.
What is the InChIKey of 6-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine?
The InChIKey is VFCZRUPENIXNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O/c22-21-17-3-1-15(12-20(17)26-25-21)14-2-4-19-18(11-14)16(7-10-24-19)13-5-8-23-9-6-13/h1-12H,(H2,22,25).
What are the key properties of 6-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine?
6-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine has a molecular weight of 338.37 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine is sourced from PubChem (CID 70798486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).