4-[(1-cyanoindolizin-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide

C19H14N4O4 — CID 126645363

IUPAC4-[(1-cyanoindolizin-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESN#Cc1c(CN2C(=O)COc3ccc(C(=O)NO)cc32)cn2ccccc12
InChIInChI=1S/C19H14N4O4/c20-8-14-13(9-22-6-2-1-3-15(14)22)10-23-16-7-12(19(25)21-26)4-5-17(16)27-11-18(23)24/h1-7,9,26H,10-11H2,(H,21,25)
InChIKeyMWVIFACNMLAZFR-UHFFFAOYSA-N
MW362.35 g/mol
LogP1.86
Rot. Bonds3

About 4-[(1-cyanoindolizin-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide

4-[(1-cyanoindolizin-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide (PubChem CID 126645363) has the molecular formula C19H14N4O4 and a molecular weight of 362.35 g/mol. Its IUPAC name is 4-[(1-cyanoindolizin-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name4-[(1-cyanoindolizin-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
PubChem CID126645363
Molecular FormulaC19H14N4O4
Molecular Weight362.35 g/mol
Exact Mass362.10
IUPAC Name4-[(1-cyanoindolizin-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESN#Cc1c(CN2C(=O)COc3ccc(C(=O)NO)cc32)cn2ccccc12
InChIInChI=1S/C19H14N4O4/c20-8-14-13(9-22-6-2-1-3-15(14)22)10-23-16-7-12(19(25)21-26)4-5-17(16)27-11-18(23)24/h1-7,9,26H,10-11H2,(H,21,25)
InChIKeyMWVIFACNMLAZFR-UHFFFAOYSA-N
XLogP1.86
TPSA107.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2-chloro-4-cyanophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645813
4-[(3-chlorophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645562
4-[(2,4-dimethoxyphenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645596
N-hydroxy-3-oxo-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,4-benzoxazine-6-carboxamide
CID 126645857
4-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645531
4-[(2-fluoro-4-methoxyphenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126646017
N-hydroxy-3-oxo-4-(quinolin-6-ylmethyl)-1,4-benzoxazine-6-carboxamide
CID 126645525
4-[(5-chloro-2-phenyl-1,3-thiazol-4-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126646121
2-[[6-(hydroxymethyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzonitrile
CID 82338216
4-(cyclobutylmethyl)-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126646111
2-[(6-amino-3-oxo-1,4-benzoxazin-4-yl)methyl]benzonitrile
CID 43479505
4-benzyl-N-(4-methylphenyl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023806

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyanoindolizin-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 4-[(1-cyanoindolizin-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide (CID 126645363) is 4-[(1-cyanoindolizin-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 4-[(1-cyanoindolizin-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 4-[(1-cyanoindolizin-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide is N#Cc1c(CN2C(=O)COc3ccc(C(=O)NO)cc32)cn2ccccc12.
What is the InChIKey of 4-[(1-cyanoindolizin-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide?
The InChIKey is MWVIFACNMLAZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O4/c20-8-14-13(9-22-6-2-1-3-15(14)22)10-23-16-7-12(19(25)21-26)4-5-17(16)27-11-18(23)24/h1-7,9,26H,10-11H2,(H,21,25).
What are the key properties of 4-[(1-cyanoindolizin-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide?
4-[(1-cyanoindolizin-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide has a molecular weight of 362.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyanoindolizin-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 126645363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).