ethyl 7-methoxy-8-propan-2-yloxy-1-thiophen-2-yl-4,5-dihydrobenzo[g]indazole-3-carboxylate

C22H24N2O4S — CID 58124993

IUPACethyl 7-methoxy-8-propan-2-yloxy-1-thiophen-2-yl-4,5-dihydrobenzo[g]indazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2cccs2)c2c1CCc1cc(OC)c(OC(C)C)cc1-2
InChIInChI=1S/C22H24N2O4S/c1-5-27-22(25)20-15-9-8-14-11-17(26-4)18(28-13(2)3)12-16(14)21(15)24(23-20)19-7-6-10-29-19/h6-7,10-13H,5,8-9H2,1-4H3
InChIKeyCUNOHDKWRBXISG-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.67
Rot. Bonds6

About ethyl 7-methoxy-8-propan-2-yloxy-1-thiophen-2-yl-4,5-dihydrobenzo[g]indazole-3-carboxylate

ethyl 7-methoxy-8-propan-2-yloxy-1-thiophen-2-yl-4,5-dihydrobenzo[g]indazole-3-carboxylate (PubChem CID 58124993) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is ethyl 7-methoxy-8-propan-2-yloxy-1-thiophen-2-yl-4,5-dihydrobenzo[g]indazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methoxy-8-propan-2-yloxy-1-thiophen-2-yl-4,5-dihydrobenzo[g]indazole-3-carboxylate
PubChem CID58124993
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Nameethyl 7-methoxy-8-propan-2-yloxy-1-thiophen-2-yl-4,5-dihydrobenzo[g]indazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2cccs2)c2c1CCc1cc(OC)c(OC(C)C)cc1-2
InChIInChI=1S/C22H24N2O4S/c1-5-27-22(25)20-15-9-8-14-11-17(26-4)18(28-13(2)3)12-16(14)21(15)24(23-20)19-7-6-10-29-19/h6-7,10-13H,5,8-9H2,1-4H3
InChIKeyCUNOHDKWRBXISG-UHFFFAOYSA-N
XLogP4.67
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 7-methoxy-8-propan-2-yloxy-1-thiophen-2-yl-4,5-dihydrobenzo[g]indazole-3-carboxylate with MolForge

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Related Compounds

ethyl 1-(3-bromophenyl)-7-methoxy-8-propan-2-yloxy-4,5-dihydrobenzo[g]indazole-3-carboxylate
CID 58124968
ethyl 8-methoxy-9-propan-2-yloxy-3-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate
CID 89464790
ethyl 8-bromo-7-methoxy-1-pyridazin-3-yl-4,5-dihydrobenzo[g]indazole-3-carboxylate
CID 170971970
N-tert-butyl-1-(4-ethylphenyl)-7-methoxy-N-methyl-8-propan-2-yloxy-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 66939709
N-tert-butyl-1-(3-cyanophenyl)-7-methoxy-N-methyl-8-propan-2-yloxy-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 50902953
N-tert-butyl-N-ethyl-8-methoxy-9-propan-2-yloxy-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide
CID 67530240
ethyl 9-acetyl-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
CID 58147720
6-methoxy-7-propan-2-yloxy-1-(thiophen-2-ylmethyl)-3,4-dihydroisoquinoline
CID 59626596
2-(dimethylamino)-1-(8-methoxy-9-propan-2-yloxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinolin-3-yl)propan-1-one
CID 66925776
ethyl 8,9-dimethoxy-2-[(4-methylphenyl)diazenyl]-3-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 2814258
N-[2-(8-methoxy-9-propan-2-yloxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]propanamide
CID 123778546
4-(8-methoxy-9-propan-2-yloxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 154384588

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methoxy-8-propan-2-yloxy-1-thiophen-2-yl-4,5-dihydrobenzo[g]indazole-3-carboxylate?
The IUPAC name of ethyl 7-methoxy-8-propan-2-yloxy-1-thiophen-2-yl-4,5-dihydrobenzo[g]indazole-3-carboxylate (CID 58124993) is ethyl 7-methoxy-8-propan-2-yloxy-1-thiophen-2-yl-4,5-dihydrobenzo[g]indazole-3-carboxylate.
What is the SMILES notation for ethyl 7-methoxy-8-propan-2-yloxy-1-thiophen-2-yl-4,5-dihydrobenzo[g]indazole-3-carboxylate?
The canonical SMILES for ethyl 7-methoxy-8-propan-2-yloxy-1-thiophen-2-yl-4,5-dihydrobenzo[g]indazole-3-carboxylate is CCOC(=O)c1nn(-c2cccs2)c2c1CCc1cc(OC)c(OC(C)C)cc1-2.
What is the InChIKey of ethyl 7-methoxy-8-propan-2-yloxy-1-thiophen-2-yl-4,5-dihydrobenzo[g]indazole-3-carboxylate?
The InChIKey is CUNOHDKWRBXISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-5-27-22(25)20-15-9-8-14-11-17(26-4)18(28-13(2)3)12-16(14)21(15)24(23-20)19-7-6-10-29-19/h6-7,10-13H,5,8-9H2,1-4H3.
What are the key properties of ethyl 7-methoxy-8-propan-2-yloxy-1-thiophen-2-yl-4,5-dihydrobenzo[g]indazole-3-carboxylate?
ethyl 7-methoxy-8-propan-2-yloxy-1-thiophen-2-yl-4,5-dihydrobenzo[g]indazole-3-carboxylate has a molecular weight of 412.51 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methoxy-8-propan-2-yloxy-1-thiophen-2-yl-4,5-dihydrobenzo[g]indazole-3-carboxylate is sourced from PubChem (CID 58124993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).