3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine

C21H21N5O2 — CID 155522921

IUPAC3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine
SMILESc1ccc2nc(-c3nc4ccccc4o3)c(NCCN3CCOCC3)nc2c1
InChIInChI=1S/C21H21N5O2/c1-2-6-16-15(5-1)23-19(21-25-17-7-3-4-8-18(17)28-21)20(24-16)22-9-10-26-11-13-27-14-12-26/h1-8H,9-14H2,(H,22,24)
InChIKeyLDDDTDUZZLYKDI-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.18
Rot. Bonds5

About 3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine

3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine (PubChem CID 155522921) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine
PubChem CID155522921
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine
SMILESc1ccc2nc(-c3nc4ccccc4o3)c(NCCN3CCOCC3)nc2c1
InChIInChI=1S/C21H21N5O2/c1-2-6-16-15(5-1)23-19(21-25-17-7-3-4-8-18(17)28-21)20(24-16)22-9-10-26-11-13-27-14-12-26/h1-8H,9-14H2,(H,22,24)
InChIKeyLDDDTDUZZLYKDI-UHFFFAOYSA-N
XLogP3.18
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine (CID 155522921) is 3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine is c1ccc2nc(-c3nc4ccccc4o3)c(NCCN3CCOCC3)nc2c1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine?
The InChIKey is LDDDTDUZZLYKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-2-6-16-15(5-1)23-19(21-25-17-7-3-4-8-18(17)28-21)20(24-16)22-9-10-26-11-13-27-14-12-26/h1-8H,9-14H2,(H,22,24).
What are the key properties of 3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine?
3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine has a molecular weight of 375.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine is sourced from PubChem (CID 155522921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).