methyl 3-[(5-methoxyquinolin-8-yl)sulfonylamino]-5-methyl-1,2-benzoxazole-6-carboxylate;hydrochloride

C20H18ClN3O6S — CID 146278272

IUPACmethyl 3-[(5-methoxyquinolin-8-yl)sulfonylamino]-5-methyl-1,2-benzoxazole-6-carboxylate;hydrochloride
SMILESCOC(=O)c1cc2onc(NS(=O)(=O)c3ccc(OC)c4cccnc34)c2cc1C.Cl
InChIInChI=1S/C20H17N3O6S.ClH/c1-11-9-14-16(10-13(11)20(24)28-3)29-22-19(14)23-30(25,26)17-7-6-15(27-2)12-5-4-8-21-18(12)17;/h4-10H,1-3H3,(H,22,23);1H
InChIKeyJHOKTTBCMKVEHT-UHFFFAOYSA-N
MW463.90 g/mol
LogP3.70
Rot. Bonds5

About methyl 3-[(5-methoxyquinolin-8-yl)sulfonylamino]-5-methyl-1,2-benzoxazole-6-carboxylate;hydrochloride

methyl 3-[(5-methoxyquinolin-8-yl)sulfonylamino]-5-methyl-1,2-benzoxazole-6-carboxylate;hydrochloride (PubChem CID 146278272) has the molecular formula C20H18ClN3O6S and a molecular weight of 463.90 g/mol. Its IUPAC name is methyl 3-[(5-methoxyquinolin-8-yl)sulfonylamino]-5-methyl-1,2-benzoxazole-6-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[(5-methoxyquinolin-8-yl)sulfonylamino]-5-methyl-1,2-benzoxazole-6-carboxylate;hydrochloride
PubChem CID146278272
Molecular FormulaC20H18ClN3O6S
Molecular Weight463.90 g/mol
Exact Mass463.06
IUPAC Namemethyl 3-[(5-methoxyquinolin-8-yl)sulfonylamino]-5-methyl-1,2-benzoxazole-6-carboxylate;hydrochloride
SMILESCOC(=O)c1cc2onc(NS(=O)(=O)c3ccc(OC)c4cccnc34)c2cc1C.Cl
InChIInChI=1S/C20H17N3O6S.ClH/c1-11-9-14-16(10-13(11)20(24)28-3)29-22-19(14)23-30(25,26)17-7-6-15(27-2)12-5-4-8-21-18(12)17;/h4-10H,1-3H3,(H,22,23);1H
InChIKeyJHOKTTBCMKVEHT-UHFFFAOYSA-N
XLogP3.70
TPSA120.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.90
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 3-[(5-methoxyquinolin-8-yl)sulfonylamino]-5-methyl-1,2-benzoxazole-6-carboxylate;hydrochloride with MolForge

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Related Compounds

N-hydroxyacetamide;methane;5-methoxyquinoline-8-sulfonyl chloride;3-[(5-methoxyquinolin-8-yl)sulfonylamino]-5-methyl-1,2-benzoxazole-6-carboxamide;methyl 3-amino-5-methyl-1,2-benzoxazole-6-carboxylate;methyl 4-cyano-5-fluoro-2-methylbenzoate;methyl 3-[(5-methoxyquinolin-8-yl)sulfonylamino]-5-methyl-1,2-benzoxazole-6-carboxylate;hydrochloride
CID 157281011
2-methoxy-4-[2-[2-[(5-methoxyquinolin-8-yl)sulfonylamino]phenyl]ethynyl]-5-methylbenzoic acid
CID 147517280
N-[4-[(8-methoxyquinolin-5-yl)sulfonylamino]-2-methylphenyl]acetamide
CID 166187188
5-[2-[5-fluoro-2-[(5-methoxyquinolin-8-yl)sulfonylamino]phenyl]ethynyl]-3-methylpyridine-2-carboxylic acid
CID 151872225
5-methoxy-N-[2-[2-(4-methyl-3-pyridinyl)ethynyl]phenyl]quinoline-8-sulfonamide
CID 175843075
5-[2-[2-[(5-methoxyquinolin-8-yl)sulfonylamino]phenyl]ethynyl]pyridine-2-carboxylic acid
CID 150303390
methyl 5-(5-methoxyquinolin-8-yl)furan-2-carboxylate
CID 53469334
8-methoxy-N-(4-methoxyphenyl)quinoline-5-sulfonamide
CID 729403
N-[(3,4-dimethoxyphenyl)methyl]-8-methylquinoline-5-sulfonamide
CID 134034376
5-[2-[2-[(5-methoxyquinolin-8-yl)sulfonylamino]-5-phenylphenyl]ethynyl]pyridine-2-carboxylic acid
CID 151344376
dimethyl 2-(quinolin-8-ylsulfamoyl)benzene-1,4-dicarboxylate
CID 24502183
N-(6-ethoxy-1,2-benzoxazol-3-yl)-5-ethyl-2-methoxybenzenesulfonamide
CID 146288847

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-methoxyquinolin-8-yl)sulfonylamino]-5-methyl-1,2-benzoxazole-6-carboxylate;hydrochloride?
The IUPAC name of methyl 3-[(5-methoxyquinolin-8-yl)sulfonylamino]-5-methyl-1,2-benzoxazole-6-carboxylate;hydrochloride (CID 146278272) is methyl 3-[(5-methoxyquinolin-8-yl)sulfonylamino]-5-methyl-1,2-benzoxazole-6-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3-[(5-methoxyquinolin-8-yl)sulfonylamino]-5-methyl-1,2-benzoxazole-6-carboxylate;hydrochloride?
The canonical SMILES for methyl 3-[(5-methoxyquinolin-8-yl)sulfonylamino]-5-methyl-1,2-benzoxazole-6-carboxylate;hydrochloride is COC(=O)c1cc2onc(NS(=O)(=O)c3ccc(OC)c4cccnc34)c2cc1C.Cl.
What is the InChIKey of methyl 3-[(5-methoxyquinolin-8-yl)sulfonylamino]-5-methyl-1,2-benzoxazole-6-carboxylate;hydrochloride?
The InChIKey is JHOKTTBCMKVEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O6S.ClH/c1-11-9-14-16(10-13(11)20(24)28-3)29-22-19(14)23-30(25,26)17-7-6-15(27-2)12-5-4-8-21-18(12)17;/h4-10H,1-3H3,(H,22,23);1H.
What are the key properties of methyl 3-[(5-methoxyquinolin-8-yl)sulfonylamino]-5-methyl-1,2-benzoxazole-6-carboxylate;hydrochloride?
methyl 3-[(5-methoxyquinolin-8-yl)sulfonylamino]-5-methyl-1,2-benzoxazole-6-carboxylate;hydrochloride has a molecular weight of 463.90 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-methoxyquinolin-8-yl)sulfonylamino]-5-methyl-1,2-benzoxazole-6-carboxylate;hydrochloride is sourced from PubChem (CID 146278272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).