N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indazole-3-carboxamide

C16H12N4O3 — CID 24671603

IUPACN-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indazole-3-carboxamide
SMILESO=C1COc2ccc(NC(=O)c3n[nH]c4ccccc34)cc2N1
InChIInChI=1S/C16H12N4O3/c21-14-8-23-13-6-5-9(7-12(13)18-14)17-16(22)15-10-3-1-2-4-11(10)19-20-15/h1-7H,8H2,(H,17,22)(H,18,21)(H,19,20)
InChIKeyRZWAGBDQSSDEKV-UHFFFAOYSA-N
MW308.30 g/mol
LogP2.15
Rot. Bonds2

About N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indazole-3-carboxamide

N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indazole-3-carboxamide (PubChem CID 24671603) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indazole-3-carboxamide
PubChem CID24671603
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC NameN-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indazole-3-carboxamide
SMILESO=C1COc2ccc(NC(=O)c3n[nH]c4ccccc34)cc2N1
InChIInChI=1S/C16H12N4O3/c21-14-8-23-13-6-5-9(7-12(13)18-14)17-16(22)15-10-3-1-2-4-11(10)19-20-15/h1-7H,8H2,(H,17,22)(H,18,21)(H,19,20)
InChIKeyRZWAGBDQSSDEKV-UHFFFAOYSA-N
XLogP2.15
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indole-3-carboxamide
CID 24515939
N-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-3-carboxamide
CID 38588569
N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 51153474
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-indazole-3-carboxamide
CID 25341668
3-bromo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 107518741
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-pyrazole-5-carboxamide
CID 47177463
4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)chromene-2-carboxamide
CID 31020420
5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 35528644
3-hydroxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 145472125
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
CID 51153472
3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide
CID 53023811

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indazole-3-carboxamide (CID 24671603) is N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indazole-3-carboxamide is O=C1COc2ccc(NC(=O)c3n[nH]c4ccccc34)cc2N1.
What is the InChIKey of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indazole-3-carboxamide?
The InChIKey is RZWAGBDQSSDEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3/c21-14-8-23-13-6-5-9(7-12(13)18-14)17-16(22)15-10-3-1-2-4-11(10)19-20-15/h1-7H,8H2,(H,17,22)(H,18,21)(H,19,20).
What are the key properties of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indazole-3-carboxamide?
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indazole-3-carboxamide has a molecular weight of 308.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 24671603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).