4-[3-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]propyl]morpholine

C18H20BrN5O — CID 67540044

IUPAC4-[3-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]propyl]morpholine
SMILESBrc1cccc2ncc(-c3cnn(CCCN4CCOCC4)c3)nc12
InChIInChI=1S/C18H20BrN5O/c19-15-3-1-4-16-18(15)22-17(12-20-16)14-11-21-24(13-14)6-2-5-23-7-9-25-10-8-23/h1,3-4,11-13H,2,5-10H2
InChIKeyQGMANKISZQGDRJ-UHFFFAOYSA-N
MW402.30 g/mol
LogP2.98
Rot. Bonds5

About 4-[3-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]propyl]morpholine

4-[3-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]propyl]morpholine (PubChem CID 67540044) has the molecular formula C18H20BrN5O and a molecular weight of 402.30 g/mol. Its IUPAC name is 4-[3-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]propyl]morpholine
PubChem CID67540044
Molecular FormulaC18H20BrN5O
Molecular Weight402.30 g/mol
Exact Mass401.09
IUPAC Name4-[3-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]propyl]morpholine
SMILESBrc1cccc2ncc(-c3cnn(CCCN4CCOCC4)c3)nc12
InChIInChI=1S/C18H20BrN5O/c19-15-3-1-4-16-18(15)22-17(12-20-16)14-11-21-24(13-14)6-2-5-23-7-9-25-10-8-23/h1,3-4,11-13H,2,5-10H2
InChIKeyQGMANKISZQGDRJ-UHFFFAOYSA-N
XLogP2.98
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]propyl]morpholine (CID 67540044) is 4-[3-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]propyl]morpholine is Brc1cccc2ncc(-c3cnn(CCCN4CCOCC4)c3)nc12.
What is the InChIKey of 4-[3-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]propyl]morpholine?
The InChIKey is QGMANKISZQGDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN5O/c19-15-3-1-4-16-18(15)22-17(12-20-16)14-11-21-24(13-14)6-2-5-23-7-9-25-10-8-23/h1,3-4,11-13H,2,5-10H2.
What are the key properties of 4-[3-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]propyl]morpholine?
4-[3-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]propyl]morpholine has a molecular weight of 402.30 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]propyl]morpholine is sourced from PubChem (CID 67540044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).