5-[4-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1,3-benzoxazol-2-amine

C22H23N5O2 — CID 70798399

IUPAC5-[4-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4nccc(NCCN5CCOCC5)c4c3)ccc2o1
InChIInChI=1S/C22H23N5O2/c23-22-26-20-14-16(2-4-21(20)29-22)15-1-3-18-17(13-15)19(5-6-24-18)25-7-8-27-9-11-28-12-10-27/h1-6,13-14H,7-12H2,(H2,23,26)(H,24,25)
InChIKeyDDUAZFFOUYIYNE-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.37
Rot. Bonds5

About 5-[4-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1,3-benzoxazol-2-amine

5-[4-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1,3-benzoxazol-2-amine (PubChem CID 70798399) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-[4-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[4-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1,3-benzoxazol-2-amine
PubChem CID70798399
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name5-[4-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4nccc(NCCN5CCOCC5)c4c3)ccc2o1
InChIInChI=1S/C22H23N5O2/c23-22-26-20-14-16(2-4-21(20)29-22)15-1-3-18-17(13-15)19(5-6-24-18)25-7-8-27-9-11-28-12-10-27/h1-6,13-14H,7-12H2,(H2,23,26)(H,24,25)
InChIKeyDDUAZFFOUYIYNE-UHFFFAOYSA-N
XLogP3.37
TPSA89.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[4-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1,3-benzoxazol-2-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 5-[4-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[4-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1,3-benzoxazol-2-amine (CID 70798399) is 5-[4-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-[4-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[4-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1,3-benzoxazol-2-amine is Nc1nc2cc(-c3ccc4nccc(NCCN5CCOCC5)c4c3)ccc2o1.
What is the InChIKey of 5-[4-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1,3-benzoxazol-2-amine?
The InChIKey is DDUAZFFOUYIYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c23-22-26-20-14-16(2-4-21(20)29-22)15-1-3-18-17(13-15)19(5-6-24-18)25-7-8-27-9-11-28-12-10-27/h1-6,13-14H,7-12H2,(H2,23,26)(H,24,25).
What are the key properties of 5-[4-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1,3-benzoxazol-2-amine?
5-[4-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1,3-benzoxazol-2-amine has a molecular weight of 389.46 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 70798399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).