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

C20H18N4O2 — CID 70798397

IUPAC5-(4-morpholin-4-ylquinolin-6-yl)-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4nccc(N5CCOCC5)c4c3)ccc2o1
InChIInChI=1S/C20H18N4O2/c21-20-23-17-12-14(2-4-19(17)26-20)13-1-3-16-15(11-13)18(5-6-22-16)24-7-9-25-10-8-24/h1-6,11-12H,7-10H2,(H2,21,23)
InChIKeyZRKUWCOJXZHFBL-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.46
Rot. Bonds2

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

5-(4-morpholin-4-ylquinolin-6-yl)-1,3-benzoxazol-2-amine (PubChem CID 70798397) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-(4-morpholin-4-ylquinolin-6-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-(4-morpholin-4-ylquinolin-6-yl)-1,3-benzoxazol-2-amine
PubChem CID70798397
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name5-(4-morpholin-4-ylquinolin-6-yl)-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4nccc(N5CCOCC5)c4c3)ccc2o1
InChIInChI=1S/C20H18N4O2/c21-20-23-17-12-14(2-4-19(17)26-20)13-1-3-16-15(11-13)18(5-6-22-16)24-7-9-25-10-8-24/h1-6,11-12H,7-10H2,(H2,21,23)
InChIKeyZRKUWCOJXZHFBL-UHFFFAOYSA-N
XLogP3.46
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-morpholin-4-ylquinolin-6-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 5-(4-morpholin-4-ylquinolin-6-yl)-1,3-benzoxazol-2-amine (CID 70798397) is 5-(4-morpholin-4-ylquinolin-6-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-(4-morpholin-4-ylquinolin-6-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-(4-morpholin-4-ylquinolin-6-yl)-1,3-benzoxazol-2-amine is Nc1nc2cc(-c3ccc4nccc(N5CCOCC5)c4c3)ccc2o1.
What is the InChIKey of 5-(4-morpholin-4-ylquinolin-6-yl)-1,3-benzoxazol-2-amine?
The InChIKey is ZRKUWCOJXZHFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c21-20-23-17-12-14(2-4-19(17)26-20)13-1-3-16-15(11-13)18(5-6-22-16)24-7-9-25-10-8-24/h1-6,11-12H,7-10H2,(H2,21,23).
What are the key properties of 5-(4-morpholin-4-ylquinolin-6-yl)-1,3-benzoxazol-2-amine?
5-(4-morpholin-4-ylquinolin-6-yl)-1,3-benzoxazol-2-amine has a molecular weight of 346.39 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-morpholin-4-ylquinolin-6-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 70798397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).