N-(2,3-dihydro-1,4-benzodioxin-6-yl)phenazine-1-carboxamide

C21H15N3O3 — CID 4617636

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)phenazine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccc2nc3ccccc3nc12
InChIInChI=1S/C21H15N3O3/c25-21(22-13-8-9-18-19(12-13)27-11-10-26-18)14-4-3-7-17-20(14)24-16-6-2-1-5-15(16)23-17/h1-9,12H,10-11H2,(H,22,25)
InChIKeyAVEYIPXODFBJMV-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.81
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)phenazine-1-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)phenazine-1-carboxamide (PubChem CID 4617636) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)phenazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)phenazine-1-carboxamide
PubChem CID4617636
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)phenazine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccc2nc3ccccc3nc12
InChIInChI=1S/C21H15N3O3/c25-21(22-13-8-9-18-19(12-13)27-11-10-26-18)14-4-3-7-17-20(14)24-16-6-2-1-5-15(16)23-17/h1-9,12H,10-11H2,(H,22,25)
InChIKeyAVEYIPXODFBJMV-UHFFFAOYSA-N
XLogP3.81
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2,3-diethyl-6-quinoxalinecarboxamide
CID 2464350
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenyl)-4-quinolinecarboxamide
CID 1013515
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethoxyphenyl)-4-quinolinecarboxamide
CID 1219675
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1220296
N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethoxy]phenyl]phenazine-1-carboxamide
CID 10414406
8-methoxy-N-[3-[3-[(8-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide
CID 10508078
7-methoxy-N-[3-[3-[(7-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide
CID 10817617
N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxamide
CID 654879
N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-2-carboxamide
CID 2546084
N-[2-(dimethylamino)ethyl]-3-methoxyphenazine-1-carboxamide
CID 11573375
N-{9-[(3,4-dimethoxyphenyl)amino]-5,6,7,8-tetrahydroacridin-2-yl}-2-ethoxybenzamide
CID 16009230
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2,3-diethyl-N-methylquinoxaline-6-carboxamide
CID 24982620

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)phenazine-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)phenazine-1-carboxamide (CID 4617636) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)phenazine-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)phenazine-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)phenazine-1-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cccc2nc3ccccc3nc12.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)phenazine-1-carboxamide?
The InChIKey is AVEYIPXODFBJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c25-21(22-13-8-9-18-19(12-13)27-11-10-26-18)14-4-3-7-17-20(14)24-16-6-2-1-5-15(16)23-17/h1-9,12H,10-11H2,(H,22,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)phenazine-1-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)phenazine-1-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 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)phenazine-1-carboxamide is sourced from PubChem (CID 4617636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).