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

C22H23N5O2 — CID 155557654

IUPAC3-(1,3-benzoxazol-2-yl)-N-(3-morpholin-4-ylpropyl)quinoxalin-2-amine
SMILESc1ccc2nc(-c3nc4ccccc4o3)c(NCCCN3CCOCC3)nc2c1
InChIInChI=1S/C22H23N5O2/c1-2-7-17-16(6-1)24-20(22-26-18-8-3-4-9-19(18)29-22)21(25-17)23-10-5-11-27-12-14-28-15-13-27/h1-4,6-9H,5,10-15H2,(H,23,25)
InChIKeyCVWUBASFVMPIHG-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.57
Rot. Bonds6

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

3-(1,3-benzoxazol-2-yl)-N-(3-morpholin-4-ylpropyl)quinoxalin-2-amine (PubChem CID 155557654) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-N-(3-morpholin-4-ylpropyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-N-(3-morpholin-4-ylpropyl)quinoxalin-2-amine
PubChem CID155557654
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name3-(1,3-benzoxazol-2-yl)-N-(3-morpholin-4-ylpropyl)quinoxalin-2-amine
SMILESc1ccc2nc(-c3nc4ccccc4o3)c(NCCCN3CCOCC3)nc2c1
InChIInChI=1S/C22H23N5O2/c1-2-7-17-16(6-1)24-20(22-26-18-8-3-4-9-19(18)29-22)21(25-17)23-10-5-11-27-12-14-28-15-13-27/h1-4,6-9H,5,10-15H2,(H,23,25)
InChIKeyCVWUBASFVMPIHG-UHFFFAOYSA-N
XLogP3.57
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-(3-morpholin-4-ylpropyl)quinoxalin-2-amine?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-(3-morpholin-4-ylpropyl)quinoxalin-2-amine (CID 155557654) is 3-(1,3-benzoxazol-2-yl)-N-(3-morpholin-4-ylpropyl)quinoxalin-2-amine.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-N-(3-morpholin-4-ylpropyl)quinoxalin-2-amine?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-N-(3-morpholin-4-ylpropyl)quinoxalin-2-amine is c1ccc2nc(-c3nc4ccccc4o3)c(NCCCN3CCOCC3)nc2c1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-N-(3-morpholin-4-ylpropyl)quinoxalin-2-amine?
The InChIKey is CVWUBASFVMPIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-2-7-17-16(6-1)24-20(22-26-18-8-3-4-9-19(18)29-22)21(25-17)23-10-5-11-27-12-14-28-15-13-27/h1-4,6-9H,5,10-15H2,(H,23,25).
What are the key properties of 3-(1,3-benzoxazol-2-yl)-N-(3-morpholin-4-ylpropyl)quinoxalin-2-amine?
3-(1,3-benzoxazol-2-yl)-N-(3-morpholin-4-ylpropyl)quinoxalin-2-amine has a molecular weight of 389.46 g/mol, XLogP of 3.57, 6 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-(3-morpholin-4-ylpropyl)quinoxalin-2-amine is sourced from PubChem (CID 155557654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).