8-hydroxy-N-[4-(1H-indazol-6-ylsulfamoyl)phenyl]quinoline-7-carboxamide;hydrochloride

C23H18ClN5O4S — CID 70166263

IUPAC8-hydroxy-N-[4-(1H-indazol-6-ylsulfamoyl)phenyl]quinoline-7-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C23H17N5O4S.ClH/c29-22-19(10-4-14-2-1-11-24-21(14)22)23(30)26-16-6-8-18(9-7-16)33(31,32)28-17-5-3-15-13-25-27-20(15)12-17;/h1-13,28-29H,(H,25,27)(H,26,30);1H
InChIKeyMXQPAMCVSPWKAD-UHFFFAOYSA-N
MW495.95 g/mol
LogP4.29
Rot. Bonds5

About 8-hydroxy-N-[4-(1H-indazol-6-ylsulfamoyl)phenyl]quinoline-7-carboxamide;hydrochloride

8-hydroxy-N-[4-(1H-indazol-6-ylsulfamoyl)phenyl]quinoline-7-carboxamide;hydrochloride (PubChem CID 70166263) has the molecular formula C23H18ClN5O4S and a molecular weight of 495.95 g/mol. Its IUPAC name is 8-hydroxy-N-[4-(1H-indazol-6-ylsulfamoyl)phenyl]quinoline-7-carboxamide;hydrochloride.

Molecular Properties

Compound Name8-hydroxy-N-[4-(1H-indazol-6-ylsulfamoyl)phenyl]quinoline-7-carboxamide;hydrochloride
PubChem CID70166263
Molecular FormulaC23H18ClN5O4S
Molecular Weight495.95 g/mol
Exact Mass495.08
IUPAC Name8-hydroxy-N-[4-(1H-indazol-6-ylsulfamoyl)phenyl]quinoline-7-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C23H17N5O4S.ClH/c29-22-19(10-4-14-2-1-11-24-21(14)22)23(30)26-16-6-8-18(9-7-16)33(31,32)28-17-5-3-15-13-25-27-20(15)12-17;/h1-13,28-29H,(H,25,27)(H,26,30);1H
InChIKeyMXQPAMCVSPWKAD-UHFFFAOYSA-N
XLogP4.29
TPSA137.07 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.95
LogP ≤ 54.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1H-indazol-6-yl)-N'-quinolin-8-yloxamide
CID 108530108
N-(1H-indazol-6-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574300
N-(1H-indazol-6-yl)-4-propoxybenzenesulfonamide
CID 110757658
2-(1H-indazol-6-ylamino)-N-(4-phenylphenyl)pyridine-3-carboxamide
CID 10272638
8-hydroxy-N-[4-(4-nitrophenoxy)phenyl]quinoline-7-carboxamide;hydrochloride
CID 18372593
N-(9,10-dihydroanthracen-2-yl)-8-hydroxyquinoline-7-carboxamide
CID 20700238
N-(9H-fluoren-2-yl)-8-hydroxyquinoline-7-carboxamide;hydrochloride
CID 18372482
8-hydroxy-N-(4-morpholin-4-ylphenyl)quinoline-7-carboxamide
CID 53302491
N-(quinolin-8-ylmethyl)-1H-indazol-6-amine
CID 43743373
N-(1H-indazol-6-yl)quinoline-4-carboxamide
CID 110694915
N-(5-fluoro-2-methylphenyl)-8-hydroxyquinoline-7-carboxamide
CID 18372561
N-(1H-indazol-6-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 110758188

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-N-[4-(1H-indazol-6-ylsulfamoyl)phenyl]quinoline-7-carboxamide;hydrochloride?
The IUPAC name of 8-hydroxy-N-[4-(1H-indazol-6-ylsulfamoyl)phenyl]quinoline-7-carboxamide;hydrochloride (CID 70166263) is 8-hydroxy-N-[4-(1H-indazol-6-ylsulfamoyl)phenyl]quinoline-7-carboxamide;hydrochloride.
What is the SMILES notation for 8-hydroxy-N-[4-(1H-indazol-6-ylsulfamoyl)phenyl]quinoline-7-carboxamide;hydrochloride?
The canonical SMILES for 8-hydroxy-N-[4-(1H-indazol-6-ylsulfamoyl)phenyl]quinoline-7-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1)c1ccc2cccnc2c1O.
What is the InChIKey of 8-hydroxy-N-[4-(1H-indazol-6-ylsulfamoyl)phenyl]quinoline-7-carboxamide;hydrochloride?
The InChIKey is MXQPAMCVSPWKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O4S.ClH/c29-22-19(10-4-14-2-1-11-24-21(14)22)23(30)26-16-6-8-18(9-7-16)33(31,32)28-17-5-3-15-13-25-27-20(15)12-17;/h1-13,28-29H,(H,25,27)(H,26,30);1H.
What are the key properties of 8-hydroxy-N-[4-(1H-indazol-6-ylsulfamoyl)phenyl]quinoline-7-carboxamide;hydrochloride?
8-hydroxy-N-[4-(1H-indazol-6-ylsulfamoyl)phenyl]quinoline-7-carboxamide;hydrochloride has a molecular weight of 495.95 g/mol, XLogP of 4.29, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-N-[4-(1H-indazol-6-ylsulfamoyl)phenyl]quinoline-7-carboxamide;hydrochloride is sourced from PubChem (CID 70166263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).