4-(aminomethyl)benzenesulfonamide;4-chloro-6,7-dimethoxyquinolin-3-amine;N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-N-methylacetamide;methane;4-[(3,7,8-trimethyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide;hydrochloride

C53H61Cl3N10O10S2 — CID 165032681

IUPAC4-(aminomethyl)benzenesulfonamide;4-chloro-6,7-dimethoxyquinolin-3-amine;N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-N-methylacetamide;methane;4-[(3,7,8-trimethyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide;hydrochloride
SMILESC.COc1cc2ncc(N(C)C(C)=O)c(Cl)c2cc1OC.COc1cc2ncc(N)c(Cl)c2cc1OC.Cc1cc2ncc3c(c2cc1C)n(Cc1ccc(S(N)(=O)=O)cc1)c(=O)n3C.Cl.NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H20N4O3S.C14H15ClN2O3.C11H11ClN2O2.C7H10N2O2S.CH4.ClH/c1-12-8-16-17(9-13(12)2)22-10-18-19(16)24(20(25)23(18)3)11-14-4-6-15(7-5-14)28(21,26)27;1-8(18)17(2)11-7-16-10-6-13(20-4)12(19-3)5-9(10)14(11)15;1-15-9-3-6-8(4-10(9)16-2)14-5-7(13)11(6)12;8-5-6-1-3-7(4-2-6)12(9,10)11;;/h4-10H,11H2,1-3H3,(H2,21,26,27);5-7H,1-4H3;3-5H,13H2,1-2H3;1-4H,5,8H2,(H2,9,10,11);1H4;1H
InChIKeyHLNPGUZQNUSJNB-UHFFFAOYSA-N
MW1168.62 g/mol
LogP8.43
Rot. Bonds10

About 4-(aminomethyl)benzenesulfonamide;4-chloro-6,7-dimethoxyquinolin-3-amine;N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-N-methylacetamide;methane;4-[(3,7,8-trimethyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide;hydrochloride

4-(aminomethyl)benzenesulfonamide;4-chloro-6,7-dimethoxyquinolin-3-amine;N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-N-methylacetamide;methane;4-[(3,7,8-trimethyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide;hydrochloride (PubChem CID 165032681) has the molecular formula C53H61Cl3N10O10S2 and a molecular weight of 1168.62 g/mol. Its IUPAC name is 4-(aminomethyl)benzenesulfonamide;4-chloro-6,7-dimethoxyquinolin-3-amine;N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-N-methylacetamide;methane;4-[(3,7,8-trimethyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)benzenesulfonamide;4-chloro-6,7-dimethoxyquinolin-3-amine;N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-N-methylacetamide;methane;4-[(3,7,8-trimethyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide;hydrochloride
PubChem CID165032681
Molecular FormulaC53H61Cl3N10O10S2
Molecular Weight1168.62 g/mol
Exact Mass1166.31
IUPAC Name4-(aminomethyl)benzenesulfonamide;4-chloro-6,7-dimethoxyquinolin-3-amine;N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-N-methylacetamide;methane;4-[(3,7,8-trimethyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide;hydrochloride
SMILESC.COc1cc2ncc(N(C)C(C)=O)c(Cl)c2cc1OC.COc1cc2ncc(N)c(Cl)c2cc1OC.Cc1cc2ncc3c(c2cc1C)n(Cc1ccc(S(N)(=O)=O)cc1)c(=O)n3C.Cl.NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H20N4O3S.C14H15ClN2O3.C11H11ClN2O2.C7H10N2O2S.CH4.ClH/c1-12-8-16-17(9-13(12)2)22-10-18-19(16)24(20(25)23(18)3)11-14-4-6-15(7-5-14)28(21,26)27;1-8(18)17(2)11-7-16-10-6-13(20-4)12(19-3)5-9(10)14(11)15;1-15-9-3-6-8(4-10(9)16-2)14-5-7(13)11(6)12;8-5-6-1-3-7(4-2-6)12(9,10)11;;/h4-10H,11H2,1-3H3,(H2,21,26,27);5-7H,1-4H3;3-5H,13H2,1-2H3;1-4H,5,8H2,(H2,9,10,11);1H4;1H
InChIKeyHLNPGUZQNUSJNB-UHFFFAOYSA-N
XLogP8.43
TPSA295.19 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001168.62
LogP ≤ 58.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 4-(aminomethyl)benzenesulfonamide;4-chloro-6,7-dimethoxyquinolin-3-amine;N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-N-methylacetamide;methane;4-[(3,7,8-trimethyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide;hydrochloride with MolForge

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Related Compounds

[4-[(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]phosphonic acid
CID 163399444
3-[(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]azetidine-1-sulfonamide
CID 164820138
3-[(4-methoxyphenyl)methyl]-1-methyl-2-oxoimidazo[4,5-c]quinoline-7,8-dicarboxylic acid
CID 77107330
4-chloro-6-methoxy-7-phenylmethoxyquinolin-3-amine;ethane
CID 177004461
4-[(2,7-dimethylpyrrolo[3,2-c]quinolin-1-yl)methyl]benzenesulfonamide
CID 165064656
4-[(8-cyano-7-methyl-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide
CID 164972295
N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-N-methylacetamide
CID 129248472
[4-[[(3-amino-6,7-dimethoxyquinolin-4-yl)amino]methyl]phenyl]carbamic acid
CID 139490412
N-(3-chloro-4-methylphenyl)-2-[6,7-dimethoxy-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylbutanamide
CID 46370171
[4-[(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)methyl]phenyl]methanamine
CID 82150142
2-[6,7-dimethoxy-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 46370173
4-[(1S)-1-(7,8-dimethylimidazo[4,5-c]quinolin-1-yl)ethyl]benzenesulfonamide
CID 165011558

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)benzenesulfonamide;4-chloro-6,7-dimethoxyquinolin-3-amine;N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-N-methylacetamide;methane;4-[(3,7,8-trimethyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)benzenesulfonamide;4-chloro-6,7-dimethoxyquinolin-3-amine;N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-N-methylacetamide;methane;4-[(3,7,8-trimethyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide;hydrochloride (CID 165032681) is 4-(aminomethyl)benzenesulfonamide;4-chloro-6,7-dimethoxyquinolin-3-amine;N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-N-methylacetamide;methane;4-[(3,7,8-trimethyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)benzenesulfonamide;4-chloro-6,7-dimethoxyquinolin-3-amine;N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-N-methylacetamide;methane;4-[(3,7,8-trimethyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)benzenesulfonamide;4-chloro-6,7-dimethoxyquinolin-3-amine;N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-N-methylacetamide;methane;4-[(3,7,8-trimethyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide;hydrochloride is C.COc1cc2ncc(N(C)C(C)=O)c(Cl)c2cc1OC.COc1cc2ncc(N)c(Cl)c2cc1OC.Cc1cc2ncc3c(c2cc1C)n(Cc1ccc(S(N)(=O)=O)cc1)c(=O)n3C.Cl.NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(aminomethyl)benzenesulfonamide;4-chloro-6,7-dimethoxyquinolin-3-amine;N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-N-methylacetamide;methane;4-[(3,7,8-trimethyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide;hydrochloride?
The InChIKey is HLNPGUZQNUSJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S.C14H15ClN2O3.C11H11ClN2O2.C7H10N2O2S.CH4.ClH/c1-12-8-16-17(9-13(12)2)22-10-18-19(16)24(20(25)23(18)3)11-14-4-6-15(7-5-14)28(21,26)27;1-8(18)17(2)11-7-16-10-6-13(20-4)12(19-3)5-9(10)14(11)15;1-15-9-3-6-8(4-10(9)16-2)14-5-7(13)11(6)12;8-5-6-1-3-7(4-2-6)12(9,10)11;;/h4-10H,11H2,1-3H3,(H2,21,26,27);5-7H,1-4H3;3-5H,13H2,1-2H3;1-4H,5,8H2,(H2,9,10,11);1H4;1H.
What are the key properties of 4-(aminomethyl)benzenesulfonamide;4-chloro-6,7-dimethoxyquinolin-3-amine;N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-N-methylacetamide;methane;4-[(3,7,8-trimethyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide;hydrochloride?
4-(aminomethyl)benzenesulfonamide;4-chloro-6,7-dimethoxyquinolin-3-amine;N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-N-methylacetamide;methane;4-[(3,7,8-trimethyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide;hydrochloride has a molecular weight of 1168.62 g/mol, XLogP of 8.43, 10 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)benzenesulfonamide;4-chloro-6,7-dimethoxyquinolin-3-amine;N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-N-methylacetamide;methane;4-[(3,7,8-trimethyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 165032681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).