8-amino-1-(1,3-benzodioxol-5-yl)-4,5-dihydrobenzo[g]indazole-3-carboxamide

C19H16N4O3 — CID 22291565

IUPAC8-amino-1-(1,3-benzodioxol-5-yl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc3c(c2)OCO3)c2c1CCc1ccc(N)cc1-2
InChIInChI=1S/C19H16N4O3/c20-11-3-1-10-2-5-13-17(19(21)24)22-23(18(13)14(10)7-11)12-4-6-15-16(8-12)26-9-25-15/h1,3-4,6-8H,2,5,9,20H2,(H2,21,24)
InChIKeyQGFYURADVKYIEO-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.05
Rot. Bonds2

About 8-amino-1-(1,3-benzodioxol-5-yl)-4,5-dihydrobenzo[g]indazole-3-carboxamide

8-amino-1-(1,3-benzodioxol-5-yl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 22291565) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 8-amino-1-(1,3-benzodioxol-5-yl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name8-amino-1-(1,3-benzodioxol-5-yl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
PubChem CID22291565
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name8-amino-1-(1,3-benzodioxol-5-yl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc3c(c2)OCO3)c2c1CCc1ccc(N)cc1-2
InChIInChI=1S/C19H16N4O3/c20-11-3-1-10-2-5-13-17(19(21)24)22-23(18(13)14(10)7-11)12-4-6-15-16(8-12)26-9-25-15/h1,3-4,6-8H,2,5,9,20H2,(H2,21,24)
InChIKeyQGFYURADVKYIEO-UHFFFAOYSA-N
XLogP2.05
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-amino-1-(4-sulfinamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 142828934
1-(1,3-benzodioxol-5-yl)-8-[[2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl]amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 22291772
1-(1,3-benzodioxol-5-yl)-8-[[3-chloro-6-[2-(dimethylamino)ethylsulfanyl]pyridine-2-carbonyl]amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 18438725
1-(1,3-benzodioxol-5-yl)-8-[[3-chloro-6-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide;dihydrochloride
CID 134135800
1-(4-aminosulfanylphenyl)-8-formamido-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 142828755
5-acetyl-8-amino-1-(4-fluorophenyl)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide;8-amino-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 159459223
1-[1-(1,3-benzodioxol-5-yl)-5-methyltriazol-4-yl]ethanone
CID 82201489
ethyl 5-acetyl-1-(1,3-benzodioxol-5-yl)-8-nitro-4H-pyrazolo[4,5-c]quinoline-3-carboxylate
CID 21092643
8-[[(2R)-2-aminopropanoyl]amino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10297872
8-[[(2E,4Z)-2,7-dimethylocta-2,4,6-trienoyl]amino]-1-(4-methylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 142223066
8-[(2-chlorobenzoyl)amino]-1-(4-pyrrol-1-ylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 22291802
8-[(2,3-dichlorobenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide;fluoromethane
CID 142828680

Frequently Asked Questions

What is the IUPAC name of 8-amino-1-(1,3-benzodioxol-5-yl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The IUPAC name of 8-amino-1-(1,3-benzodioxol-5-yl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 22291565) is 8-amino-1-(1,3-benzodioxol-5-yl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.
What is the SMILES notation for 8-amino-1-(1,3-benzodioxol-5-yl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The canonical SMILES for 8-amino-1-(1,3-benzodioxol-5-yl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is NC(=O)c1nn(-c2ccc3c(c2)OCO3)c2c1CCc1ccc(N)cc1-2.
What is the InChIKey of 8-amino-1-(1,3-benzodioxol-5-yl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The InChIKey is QGFYURADVKYIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c20-11-3-1-10-2-5-13-17(19(21)24)22-23(18(13)14(10)7-11)12-4-6-15-16(8-12)26-9-25-15/h1,3-4,6-8H,2,5,9,20H2,(H2,21,24).
What are the key properties of 8-amino-1-(1,3-benzodioxol-5-yl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
8-amino-1-(1,3-benzodioxol-5-yl)-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-(1,3-benzodioxol-5-yl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 22291565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).