N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide

C17H14N2O5 — CID 110701635

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESO=C1COc2c(cccc2C(=O)Nc2ccc3c(c2)OCCO3)N1
InChIInChI=1S/C17H14N2O5/c20-15-9-24-16-11(2-1-3-12(16)19-15)17(21)18-10-4-5-13-14(8-10)23-7-6-22-13/h1-5,8H,6-7,9H2,(H,18,21)(H,19,20)
InChIKeyBPAOKWFQNAMBRS-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.04
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide (PubChem CID 110701635) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
PubChem CID110701635
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESO=C1COc2c(cccc2C(=O)Nc2ccc3c(c2)OCCO3)N1
InChIInChI=1S/C17H14N2O5/c20-15-9-24-16-11(2-1-3-12(16)19-15)17(21)18-10-4-5-13-14(8-10)23-7-6-22-13/h1-5,8H,6-7,9H2,(H,18,21)(H,19,20)
InChIKeyBPAOKWFQNAMBRS-UHFFFAOYSA-N
XLogP2.04
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701633
N-(3-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701603
N-(3-chloro-4-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701599
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide
CID 62237289
3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide
CID 110701488
3-oxo-N-(2,3,4-trifluorophenyl)-4H-1,4-benzoxazine-8-carboxamide
CID 110701657
N-(2-cyanophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701653
N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-8-carboxamide
CID 59802648
3-oxo-N-propyl-4H-1,4-benzoxazine-8-carboxamide
CID 110701487
2-amino-3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 115539984
N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701561
2,3,4,5-tetrafluoro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 32974831

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide (CID 110701635) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide is O=C1COc2c(cccc2C(=O)Nc2ccc3c(c2)OCCO3)N1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The InChIKey is BPAOKWFQNAMBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5/c20-15-9-24-16-11(2-1-3-12(16)19-15)17(21)18-10-4-5-13-14(8-10)23-7-6-22-13/h1-5,8H,6-7,9H2,(H,18,21)(H,19,20).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide has a molecular weight of 326.31 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 110701635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).