4-[[1-methyl-5-(quinolin-8-ylsulfonylamino)indol-2-yl]methyl]benzenecarboximidamide;hydrochloride

C26H24ClN5O2S — CID 23302532

IUPAC4-[[1-methyl-5-(quinolin-8-ylsulfonylamino)indol-2-yl]methyl]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(Cc2cc3cc(NS(=O)(=O)c4cccc5cccnc45)ccc3n2C)cc1
InChIInChI=1S/C26H23N5O2S.ClH/c1-31-22(14-17-7-9-19(10-8-17)26(27)28)16-20-15-21(11-12-23(20)31)30-34(32,33)24-6-2-4-18-5-3-13-29-25(18)24;/h2-13,15-16,30H,14H2,1H3,(H3,27,28);1H
InChIKeyXXKIFQLDCBIGQX-UHFFFAOYSA-N
MW506.03 g/mol
LogP4.82
Rot. Bonds6

About 4-[[1-methyl-5-(quinolin-8-ylsulfonylamino)indol-2-yl]methyl]benzenecarboximidamide;hydrochloride

4-[[1-methyl-5-(quinolin-8-ylsulfonylamino)indol-2-yl]methyl]benzenecarboximidamide;hydrochloride (PubChem CID 23302532) has the molecular formula C26H24ClN5O2S and a molecular weight of 506.03 g/mol. Its IUPAC name is 4-[[1-methyl-5-(quinolin-8-ylsulfonylamino)indol-2-yl]methyl]benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-[[1-methyl-5-(quinolin-8-ylsulfonylamino)indol-2-yl]methyl]benzenecarboximidamide;hydrochloride
PubChem CID23302532
Molecular FormulaC26H24ClN5O2S
Molecular Weight506.03 g/mol
Exact Mass505.13
IUPAC Name4-[[1-methyl-5-(quinolin-8-ylsulfonylamino)indol-2-yl]methyl]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(Cc2cc3cc(NS(=O)(=O)c4cccc5cccnc45)ccc3n2C)cc1
InChIInChI=1S/C26H23N5O2S.ClH/c1-31-22(14-17-7-9-19(10-8-17)26(27)28)16-20-15-21(11-12-23(20)31)30-34(32,33)24-6-2-4-18-5-3-13-29-25(18)24;/h2-13,15-16,30H,14H2,1H3,(H3,27,28);1H
InChIKeyXXKIFQLDCBIGQX-UHFFFAOYSA-N
XLogP4.82
TPSA113.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.03
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylindol-5-yl]-quinolin-8-ylsulfonylamino]acetic acid;hydrochloride
CID 23302565
4-[2-[1-methyl-6-(quinolin-8-ylsulfonylamino)imidazo[4,5-b]pyridin-2-yl]ethyl]benzenecarboximidamide;hydrochloride
CID 23296474
4-[[3-bromo-6-(quinolin-8-ylsulfonylamino)-1-benzofuran-2-yl]methyl]benzenecarboximidamide
CID 23302369
[1-methyl-5-(quinolin-8-ylsulfonylamino)indol-3-yl] N-(4-carbamimidoylphenyl)carbamate;hydrochloride
CID 70065019
2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetic acid;hydrochloride
CID 23302796
ethyl 2-[2-[(4-carbamimidoylphenoxy)methyl]-5-(quinolin-8-ylsulfonylamino)benzimidazol-1-yl]acetate
CID 23296501
4-[[1-methyl-5-(naphthalen-2-ylsulfonylamino)benzimidazol-2-yl]methyl]benzenecarboximidamide
CID 11113432
4-[[1-methyl-5-(pyridin-3-ylsulfonylamino)benzimidazol-2-yl]methyl]benzenecarboximidamide
CID 10873499
4-[[7-(benzenesulfonamido)-4-methyl-3-oxoquinoxalin-2-yl]methyl]benzenecarboximidamide;hydrochloride
CID 21250266
2-[[2-(4-carbamimidoylanilino)-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetic acid
CID 23302333
4-quinolin-8-ylsulfonylbenzenecarboximidamide
CID 57159416
methyl 2-[[1-[3-(4-carbamimidoylphenyl)propyl]-2,3-dimethylindol-5-yl]amino]-2-quinolin-8-ylsulfonylacetate;hydroiodide
CID 70065928

Frequently Asked Questions

What is the IUPAC name of 4-[[1-methyl-5-(quinolin-8-ylsulfonylamino)indol-2-yl]methyl]benzenecarboximidamide;hydrochloride?
The IUPAC name of 4-[[1-methyl-5-(quinolin-8-ylsulfonylamino)indol-2-yl]methyl]benzenecarboximidamide;hydrochloride (CID 23302532) is 4-[[1-methyl-5-(quinolin-8-ylsulfonylamino)indol-2-yl]methyl]benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-[[1-methyl-5-(quinolin-8-ylsulfonylamino)indol-2-yl]methyl]benzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-[[1-methyl-5-(quinolin-8-ylsulfonylamino)indol-2-yl]methyl]benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(Cc2cc3cc(NS(=O)(=O)c4cccc5cccnc45)ccc3n2C)cc1.
What is the InChIKey of 4-[[1-methyl-5-(quinolin-8-ylsulfonylamino)indol-2-yl]methyl]benzenecarboximidamide;hydrochloride?
The InChIKey is XXKIFQLDCBIGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2S.ClH/c1-31-22(14-17-7-9-19(10-8-17)26(27)28)16-20-15-21(11-12-23(20)31)30-34(32,33)24-6-2-4-18-5-3-13-29-25(18)24;/h2-13,15-16,30H,14H2,1H3,(H3,27,28);1H.
What are the key properties of 4-[[1-methyl-5-(quinolin-8-ylsulfonylamino)indol-2-yl]methyl]benzenecarboximidamide;hydrochloride?
4-[[1-methyl-5-(quinolin-8-ylsulfonylamino)indol-2-yl]methyl]benzenecarboximidamide;hydrochloride has a molecular weight of 506.03 g/mol, XLogP of 4.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-methyl-5-(quinolin-8-ylsulfonylamino)indol-2-yl]methyl]benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 23302532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).