N-(2-hydroxy-1-methylindol-3-yl)imino-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C18H15N3O4 — CID 3706450

IUPACN-(2-hydroxy-1-methylindol-3-yl)imino-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCn1c(O)c(/N=N/C(=O)C2COc3ccccc3O2)c2ccccc21
InChIInChI=1S/C18H15N3O4/c1-21-12-7-3-2-6-11(12)16(18(21)23)19-20-17(22)15-10-24-13-8-4-5-9-14(13)25-15/h2-9,15,23H,10H2,1H3/b20-19+
InChIKeyGAXICPNENSDXRJ-FMQUCBEESA-N
MW337.34 g/mol
LogP3.33
Rot. Bonds2

About N-(2-hydroxy-1-methylindol-3-yl)imino-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(2-hydroxy-1-methylindol-3-yl)imino-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 3706450) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-(2-hydroxy-1-methylindol-3-yl)imino-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-methylindol-3-yl)imino-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID3706450
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC NameN-(2-hydroxy-1-methylindol-3-yl)imino-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCn1c(O)c(/N=N/C(=O)C2COc3ccccc3O2)c2ccccc21
InChIInChI=1S/C18H15N3O4/c1-21-12-7-3-2-6-11(12)16(18(21)23)19-20-17(22)15-10-24-13-8-4-5-9-14(13)25-15/h2-9,15,23H,10H2,1H3/b20-19+
InChIKeyGAXICPNENSDXRJ-FMQUCBEESA-N
XLogP3.33
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-methylindol-3-yl)imino-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-1-methylindol-3-yl)imino-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 3706450) is N-(2-hydroxy-1-methylindol-3-yl)imino-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-methylindol-3-yl)imino-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-methylindol-3-yl)imino-2,3-dihydro-1,4-benzodioxine-3-carboxamide is Cn1c(O)c(/N=N/C(=O)C2COc3ccccc3O2)c2ccccc21.
What is the InChIKey of N-(2-hydroxy-1-methylindol-3-yl)imino-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is GAXICPNENSDXRJ-FMQUCBEESA-N. The full InChI is InChI=1S/C18H15N3O4/c1-21-12-7-3-2-6-11(12)16(18(21)23)19-20-17(22)15-10-24-13-8-4-5-9-14(13)25-15/h2-9,15,23H,10H2,1H3/b20-19+.
What are the key properties of N-(2-hydroxy-1-methylindol-3-yl)imino-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(2-hydroxy-1-methylindol-3-yl)imino-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-methylindol-3-yl)imino-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 3706450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).