4-(8-bromoquinoxalin-2-yl)-N-(2-hydroxyethyl)-2-methylbenzamide

C18H16BrN3O2 — CID 67541006

IUPAC4-(8-bromoquinoxalin-2-yl)-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1cc(-c2cnc3cccc(Br)c3n2)ccc1C(=O)NCCO
InChIInChI=1S/C18H16BrN3O2/c1-11-9-12(5-6-13(11)18(24)20-7-8-23)16-10-21-15-4-2-3-14(19)17(15)22-16/h2-6,9-10,23H,7-8H2,1H3,(H,20,24)
InChIKeyQDHNRFJXRKTDPA-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.09
Rot. Bonds4

About 4-(8-bromoquinoxalin-2-yl)-N-(2-hydroxyethyl)-2-methylbenzamide

4-(8-bromoquinoxalin-2-yl)-N-(2-hydroxyethyl)-2-methylbenzamide (PubChem CID 67541006) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 4-(8-bromoquinoxalin-2-yl)-N-(2-hydroxyethyl)-2-methylbenzamide.

Molecular Properties

Compound Name4-(8-bromoquinoxalin-2-yl)-N-(2-hydroxyethyl)-2-methylbenzamide
PubChem CID67541006
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name4-(8-bromoquinoxalin-2-yl)-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1cc(-c2cnc3cccc(Br)c3n2)ccc1C(=O)NCCO
InChIInChI=1S/C18H16BrN3O2/c1-11-9-12(5-6-13(11)18(24)20-7-8-23)16-10-21-15-4-2-3-14(19)17(15)22-16/h2-6,9-10,23H,7-8H2,1H3,(H,20,24)
InChIKeyQDHNRFJXRKTDPA-UHFFFAOYSA-N
XLogP3.09
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 44407340
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CID 76317095
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CID 71657192
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CID 145525000
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CID 135057561

Frequently Asked Questions

What is the IUPAC name of 4-(8-bromoquinoxalin-2-yl)-N-(2-hydroxyethyl)-2-methylbenzamide?
The IUPAC name of 4-(8-bromoquinoxalin-2-yl)-N-(2-hydroxyethyl)-2-methylbenzamide (CID 67541006) is 4-(8-bromoquinoxalin-2-yl)-N-(2-hydroxyethyl)-2-methylbenzamide.
What is the SMILES notation for 4-(8-bromoquinoxalin-2-yl)-N-(2-hydroxyethyl)-2-methylbenzamide?
The canonical SMILES for 4-(8-bromoquinoxalin-2-yl)-N-(2-hydroxyethyl)-2-methylbenzamide is Cc1cc(-c2cnc3cccc(Br)c3n2)ccc1C(=O)NCCO.
What is the InChIKey of 4-(8-bromoquinoxalin-2-yl)-N-(2-hydroxyethyl)-2-methylbenzamide?
The InChIKey is QDHNRFJXRKTDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-11-9-12(5-6-13(11)18(24)20-7-8-23)16-10-21-15-4-2-3-14(19)17(15)22-16/h2-6,9-10,23H,7-8H2,1H3,(H,20,24).
What are the key properties of 4-(8-bromoquinoxalin-2-yl)-N-(2-hydroxyethyl)-2-methylbenzamide?
4-(8-bromoquinoxalin-2-yl)-N-(2-hydroxyethyl)-2-methylbenzamide has a molecular weight of 386.25 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-bromoquinoxalin-2-yl)-N-(2-hydroxyethyl)-2-methylbenzamide is sourced from PubChem (CID 67541006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).