5-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine

C21H14N4O — CID 70798488

IUPAC5-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine
SMILESNc1noc2ccc(-c3ccc4nccc(-c5ccncc5)c4c3)cc12
InChIInChI=1S/C21H14N4O/c22-21-18-12-15(2-4-20(18)26-25-21)14-1-3-19-17(11-14)16(7-10-24-19)13-5-8-23-9-6-13/h1-12H,(H2,22,25)
InChIKeyMUVGJKRNTDNHPE-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.69
Rot. Bonds2

About 5-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine

5-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine (PubChem CID 70798488) has the molecular formula C21H14N4O and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name5-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine
PubChem CID70798488
Molecular FormulaC21H14N4O
Molecular Weight338.37 g/mol
Exact Mass338.12
IUPAC Name5-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine
SMILESNc1noc2ccc(-c3ccc4nccc(-c5ccncc5)c4c3)cc12
InChIInChI=1S/C21H14N4O/c22-21-18-12-15(2-4-20(18)26-25-21)14-1-3-19-17(11-14)16(7-10-24-19)13-5-8-23-9-6-13/h1-12H,(H2,22,25)
InChIKeyMUVGJKRNTDNHPE-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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine?
The IUPAC name of 5-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine (CID 70798488) is 5-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine.
What is the SMILES notation for 5-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine?
The canonical SMILES for 5-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine is Nc1noc2ccc(-c3ccc4nccc(-c5ccncc5)c4c3)cc12.
What is the InChIKey of 5-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine?
The InChIKey is MUVGJKRNTDNHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O/c22-21-18-12-15(2-4-20(18)26-25-21)14-1-3-19-17(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 5-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine?
5-(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 5-(4-pyridin-4-ylquinolin-6-yl)-1,2-benzoxazol-3-amine is sourced from PubChem (CID 70798488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).