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

C20H19N3O7 — CID 135710506

IUPACN-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)/N=N/c2c(O)[nH]c3cc4c(cc23)OCCO4)cc(OC)c1OC
InChIInChI=1S/C20H19N3O7/c1-26-15-6-10(7-16(27-2)18(15)28-3)19(24)23-22-17-11-8-13-14(30-5-4-29-13)9-12(11)21-20(17)25/h6-9,21,25H,4-5H2,1-3H3/b23-22+
InChIKeyWBRCBGUAFWQWLV-GHVJWSGMSA-N
MW413.39 g/mol
LogP3.59
Rot. Bonds5

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

N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-3,4,5-trimethoxybenzamide (PubChem CID 135710506) has the molecular formula C20H19N3O7 and a molecular weight of 413.39 g/mol. Its IUPAC name is N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-3,4,5-trimethoxybenzamide
PubChem CID135710506
Molecular FormulaC20H19N3O7
Molecular Weight413.39 g/mol
Exact Mass413.12
IUPAC NameN-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)/N=N/c2c(O)[nH]c3cc4c(cc23)OCCO4)cc(OC)c1OC
InChIInChI=1S/C20H19N3O7/c1-26-15-6-10(7-16(27-2)18(15)28-3)19(24)23-22-17-11-8-13-14(30-5-4-29-13)9-12(11)21-20(17)25/h6-9,21,25H,4-5H2,1-3H3/b23-22+
InChIKeyWBRCBGUAFWQWLV-GHVJWSGMSA-N
XLogP3.59
TPSA123.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.39
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2-(2-methoxyphenoxy)acetamide
CID 135674756
N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide
CID 135836838
N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide
CID 2424477
N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1H-pyrrole-2-carboxamide
CID 135771128
1-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-3-(2-methoxyphenyl)thiourea
CID 135731272
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
8-[(2-nitrophenyl)diazenyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ol
CID 135755077
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-1,3-benzodioxole-5-carboxamide
CID 703979
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
4-fluoro-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 135836764

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]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-3,4,5-trimethoxybenzamide (CID 135710506) is N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)/N=N/c2c(O)[nH]c3cc4c(cc23)OCCO4)cc(OC)c1OC.
What is the InChIKey of N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-3,4,5-trimethoxybenzamide?
The InChIKey is WBRCBGUAFWQWLV-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H19N3O7/c1-26-15-6-10(7-16(27-2)18(15)28-3)19(24)23-22-17-11-8-13-14(30-5-4-29-13)9-12(11)21-20(17)25/h6-9,21,25H,4-5H2,1-3H3/b23-22+.
What are the key properties of N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-3,4,5-trimethoxybenzamide?
N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-3,4,5-trimethoxybenzamide has a molecular weight of 413.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 8 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]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 135710506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).