N-(2-cyanophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide

C16H11N3O3 — CID 110701653

IUPACN-(2-cyanophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cccc2c1OCC(=O)N2
InChIInChI=1S/C16H11N3O3/c17-8-10-4-1-2-6-12(10)19-16(21)11-5-3-7-13-15(11)22-9-14(20)18-13/h1-7H,9H2,(H,18,20)(H,19,21)
InChIKeyPNZDEQFJJPTNBT-UHFFFAOYSA-N
MW293.28 g/mol
LogP2.14
Rot. Bonds2

About N-(2-cyanophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide

N-(2-cyanophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide (PubChem CID 110701653) has the molecular formula C16H11N3O3 and a molecular weight of 293.28 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
PubChem CID110701653
Molecular FormulaC16H11N3O3
Molecular Weight293.28 g/mol
Exact Mass293.08
IUPAC NameN-(2-cyanophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cccc2c1OCC(=O)N2
InChIInChI=1S/C16H11N3O3/c17-8-10-4-1-2-6-12(10)19-16(21)11-5-3-7-13-15(11)22-9-14(20)18-13/h1-7H,9H2,(H,18,20)(H,19,21)
InChIKeyPNZDEQFJJPTNBT-UHFFFAOYSA-N
XLogP2.14
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-N-(2,3,4-trifluorophenyl)-4H-1,4-benzoxazine-8-carboxamide
CID 110701657
3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide
CID 110701488
3-oxo-N-propyl-4H-1,4-benzoxazine-8-carboxamide
CID 110701487
N-(2-cyanophenyl)-2-(propan-2-ylamino)benzamide
CID 63107973
N-(2-cyanophenyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711879
4-[[(3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]methyl]benzoic acid
CID 119353511
2-chloro-N-(2-cyanophenyl)-3-fluorobenzamide
CID 79044792
3-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4H-1,4-benzoxazine-8-carboxamide
CID 71878985
N-(3-chloro-4-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701599
N-(2-benzylsulfanylethyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 75369661
2-bromo-N-(2-cyanophenyl)-3-methylbenzamide
CID 103857096
N-(3-oxo-4H-1,4-benzoxazin-8-yl)-5-sulfamoylthiophene-3-carboxamide
CID 138043321

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide (CID 110701653) is N-(2-cyanophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide is N#Cc1ccccc1NC(=O)c1cccc2c1OCC(=O)N2.
What is the InChIKey of N-(2-cyanophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The InChIKey is PNZDEQFJJPTNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3/c17-8-10-4-1-2-6-12(10)19-16(21)11-5-3-7-13-15(11)22-9-14(20)18-13/h1-7H,9H2,(H,18,20)(H,19,21).
What are the key properties of N-(2-cyanophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
N-(2-cyanophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide has a molecular weight of 293.28 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 110701653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).