5-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-indazole-3-carboxamide

C18H15BrN4O3 — CID 166201804

IUPAC5-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-indazole-3-carboxamide
SMILESO=C(NCCN1C(=O)COc2ccccc21)c1n[nH]c2ccc(Br)cc12
InChIInChI=1S/C18H15BrN4O3/c19-11-5-6-13-12(9-11)17(22-21-13)18(25)20-7-8-23-14-3-1-2-4-15(14)26-10-16(23)24/h1-6,9H,7-8,10H2,(H,20,25)(H,21,22)
InChIKeyOLIQDLSWOULZKE-UHFFFAOYSA-N
MW415.25 g/mol
LogP2.48
Rot. Bonds4

About 5-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-indazole-3-carboxamide

5-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-indazole-3-carboxamide (PubChem CID 166201804) has the molecular formula C18H15BrN4O3 and a molecular weight of 415.25 g/mol. Its IUPAC name is 5-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-indazole-3-carboxamide
PubChem CID166201804
Molecular FormulaC18H15BrN4O3
Molecular Weight415.25 g/mol
Exact Mass414.03
IUPAC Name5-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-indazole-3-carboxamide
SMILESO=C(NCCN1C(=O)COc2ccccc21)c1n[nH]c2ccc(Br)cc12
InChIInChI=1S/C18H15BrN4O3/c19-11-5-6-13-12(9-11)17(22-21-13)18(25)20-7-8-23-14-3-1-2-4-15(14)26-10-16(23)24/h1-6,9H,7-8,10H2,(H,20,25)(H,21,22)
InChIKeyOLIQDLSWOULZKE-UHFFFAOYSA-N
XLogP2.48
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.25
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 166358849
2-(2-fluorophenyl)-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]acetamide
CID 110729840
4-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 166358779
N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cyclobutanecarboxamide
CID 110729830
4-methoxy-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]quinoline-3-carboxamide
CID 167794067
8-methyl-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cinnoline-3-carboxamide
CID 166358753
2-(methylamino)-N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]acetamide;hydrochloride
CID 119800548
5-bromo-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide
CID 167904914
4-(5-hydroxypentyl)-1,4-benzoxazin-3-one
CID 62229355
N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 166220908
(E)-4-(dimethylamino)-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]but-2-enamide
CID 146100935
methanol;4-propyl-1,4-benzoxazin-3-one
CID 91005222

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-indazole-3-carboxamide (CID 166201804) is 5-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-indazole-3-carboxamide is O=C(NCCN1C(=O)COc2ccccc21)c1n[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-indazole-3-carboxamide?
The InChIKey is OLIQDLSWOULZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O3/c19-11-5-6-13-12(9-11)17(22-21-13)18(25)20-7-8-23-14-3-1-2-4-15(14)26-10-16(23)24/h1-6,9H,7-8,10H2,(H,20,25)(H,21,22).
What are the key properties of 5-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-indazole-3-carboxamide?
5-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-indazole-3-carboxamide has a molecular weight of 415.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 166201804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).