N-[(7-bromoquinoxalin-2-yl)methyl]oxane-4-carboxamide

C15H16BrN3O2 — CID 156694037

IUPACN-[(7-bromoquinoxalin-2-yl)methyl]oxane-4-carboxamide
SMILESO=C(NCc1cnc2ccc(Br)cc2n1)C1CCOCC1
InChIInChI=1S/C15H16BrN3O2/c16-11-1-2-13-14(7-11)19-12(8-17-13)9-18-15(20)10-3-5-21-6-4-10/h1-2,7-8,10H,3-6,9H2,(H,18,20)
InChIKeyCVLNPQJEGVIALC-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.44
Rot. Bonds3

About N-[(7-bromoquinoxalin-2-yl)methyl]oxane-4-carboxamide

N-[(7-bromoquinoxalin-2-yl)methyl]oxane-4-carboxamide (PubChem CID 156694037) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is N-[(7-bromoquinoxalin-2-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(7-bromoquinoxalin-2-yl)methyl]oxane-4-carboxamide
PubChem CID156694037
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC NameN-[(7-bromoquinoxalin-2-yl)methyl]oxane-4-carboxamide
SMILESO=C(NCc1cnc2ccc(Br)cc2n1)C1CCOCC1
InChIInChI=1S/C15H16BrN3O2/c16-11-1-2-13-14(7-11)19-12(8-17-13)9-18-15(20)10-3-5-21-6-4-10/h1-2,7-8,10H,3-6,9H2,(H,18,20)
InChIKeyCVLNPQJEGVIALC-UHFFFAOYSA-N
XLogP2.44
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(7-bromoquinoxalin-2-yl)methyl]oxane-4-carboxamide?
The IUPAC name of N-[(7-bromoquinoxalin-2-yl)methyl]oxane-4-carboxamide (CID 156694037) is N-[(7-bromoquinoxalin-2-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(7-bromoquinoxalin-2-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for N-[(7-bromoquinoxalin-2-yl)methyl]oxane-4-carboxamide is O=C(NCc1cnc2ccc(Br)cc2n1)C1CCOCC1.
What is the InChIKey of N-[(7-bromoquinoxalin-2-yl)methyl]oxane-4-carboxamide?
The InChIKey is CVLNPQJEGVIALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c16-11-1-2-13-14(7-11)19-12(8-17-13)9-18-15(20)10-3-5-21-6-4-10/h1-2,7-8,10H,3-6,9H2,(H,18,20).
What are the key properties of N-[(7-bromoquinoxalin-2-yl)methyl]oxane-4-carboxamide?
N-[(7-bromoquinoxalin-2-yl)methyl]oxane-4-carboxamide has a molecular weight of 350.22 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-bromoquinoxalin-2-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 156694037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).