N-(2-cyanophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide

C17H13N3O3 — CID 110682883

IUPACN-(2-cyanophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCC1Oc2cc(C(=O)Nc3ccccc3C#N)ccc2NC1=O
InChIInChI=1S/C17H13N3O3/c1-10-16(21)20-14-7-6-11(8-15(14)23-10)17(22)19-13-5-3-2-4-12(13)9-18/h2-8,10H,1H3,(H,19,22)(H,20,21)
InChIKeyNWPRDYHYQACWMB-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.53
Rot. Bonds2

About N-(2-cyanophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide

N-(2-cyanophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 110682883) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
PubChem CID110682883
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC NameN-(2-cyanophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCC1Oc2cc(C(=O)Nc3ccccc3C#N)ccc2NC1=O
InChIInChI=1S/C17H13N3O3/c1-10-16(21)20-14-7-6-11(8-15(14)23-10)17(22)19-13-5-3-2-4-12(13)9-18/h2-8,10H,1H3,(H,19,22)(H,20,21)
InChIKeyNWPRDYHYQACWMB-UHFFFAOYSA-N
XLogP2.53
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-7-carboxamide
CID 110682825
N-(2-cyanophenyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711879
2-methyl-3-oxo-N-pyrimidin-2-yl-4H-1,4-benzoxazine-6-carboxamide
CID 110683130
3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide
CID 17226453
N-(4-acetamidophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110683124
N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 116827630
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-phenylbenzamide
CID 9145109
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
N-(2-cyanophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide
CID 110765482
3,4-dichloro-N-(2-cyanophenyl)benzamide
CID 798668
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,3-benzodioxole-5-carboxamide
CID 9145088
N-(2-cyanophenyl)-1H-indole-5-carboxamide
CID 63770547

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide (CID 110682883) is N-(2-cyanophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide is CC1Oc2cc(C(=O)Nc3ccccc3C#N)ccc2NC1=O.
What is the InChIKey of N-(2-cyanophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is NWPRDYHYQACWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c1-10-16(21)20-14-7-6-11(8-15(14)23-10)17(22)19-13-5-3-2-4-12(13)9-18/h2-8,10H,1H3,(H,19,22)(H,20,21).
What are the key properties of N-(2-cyanophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
N-(2-cyanophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 110682883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).