N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,3-benzodioxole-5-carboxamide

C18H13N3O6 — CID 135710574

IUPACN-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,3-benzodioxole-5-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2cc3c(cc12)OCCO3)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H13N3O6/c22-17(9-1-2-12-13(5-9)27-8-26-12)21-20-16-10-6-14-15(25-4-3-24-14)7-11(10)19-18(16)23/h1-2,5-7,19,23H,3-4,8H2/b21-20+
InChIKeyVILMVOPANIFWAO-QZQOTICOSA-N
MW367.32 g/mol
LogP3.30
Rot. Bonds2

About N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,3-benzodioxole-5-carboxamide

N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,3-benzodioxole-5-carboxamide (PubChem CID 135710574) has the molecular formula C18H13N3O6 and a molecular weight of 367.32 g/mol. Its IUPAC name is N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,3-benzodioxole-5-carboxamide
PubChem CID135710574
Molecular FormulaC18H13N3O6
Molecular Weight367.32 g/mol
Exact Mass367.08
IUPAC NameN-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,3-benzodioxole-5-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2cc3c(cc12)OCCO3)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H13N3O6/c22-17(9-1-2-12-13(5-9)27-8-26-12)21-20-16-10-6-14-15(25-4-3-24-14)7-11(10)19-18(16)23/h1-2,5-7,19,23H,3-4,8H2/b21-20+
InChIKeyVILMVOPANIFWAO-QZQOTICOSA-N
XLogP3.30
TPSA114.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-1,3-benzodioxole-5-carboxamide
CID 703979
N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-3,4,5-trimethoxybenzamide
CID 135710506
N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1H-pyrrole-2-carboxamide
CID 135771128
N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2-(2-methoxyphenoxy)acetamide
CID 135674756
8-[(2-nitrophenyl)diazenyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ol
CID 135755077
2-(1-adamantyl)-N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]acetamide
CID 135816254
(3S)-N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,1-dioxothiolane-3-carboxamide
CID 135817876
4-fluoro-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 135836764
N-(1-benzyl-2-hydroxyindol-3-yl)imino-1,3-benzodioxole-5-carboxamide
CID 2592780
1-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 135733278
N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2,5-dimethylbenzenesulfonamide
CID 135722923
1-N,4-N-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzene-1,4-dicarboxamide
CID 135486408

Frequently Asked Questions

What is the IUPAC name of N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,3-benzodioxole-5-carboxamide (CID 135710574) is N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,3-benzodioxole-5-carboxamide is O=C(/N=N/c1c(O)[nH]c2cc3c(cc12)OCCO3)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,3-benzodioxole-5-carboxamide?
The InChIKey is VILMVOPANIFWAO-QZQOTICOSA-N. The full InChI is InChI=1S/C18H13N3O6/c22-17(9-1-2-12-13(5-9)27-8-26-12)21-20-16-10-6-14-15(25-4-3-24-14)7-11(10)19-18(16)23/h1-2,5-7,19,23H,3-4,8H2/b21-20+.
What are the key properties of N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,3-benzodioxole-5-carboxamide?
N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,3-benzodioxole-5-carboxamide has a molecular weight of 367.32 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 135710574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).