azepane-4-sulfonamide;4-chloro-6,7-dimethylquinazoline;1-(6,7-dimethylquinazolin-4-yl)azepane-4-sulfonamide;hydrochloride

C32H46Cl2N8O4S2 — CID 158399574

IUPACazepane-4-sulfonamide;4-chloro-6,7-dimethylquinazoline;1-(6,7-dimethylquinazolin-4-yl)azepane-4-sulfonamide;hydrochloride
SMILESCc1cc2ncnc(Cl)c2cc1C.Cc1cc2ncnc(N3CCCC(S(N)(=O)=O)CC3)c2cc1C.Cl.NS(=O)(=O)C1CCCNCC1
InChIInChI=1S/C16H22N4O2S.C10H9ClN2.C6H14N2O2S.ClH/c1-11-8-14-15(9-12(11)2)18-10-19-16(14)20-6-3-4-13(5-7-20)23(17,21)22;1-6-3-8-9(4-7(6)2)12-5-13-10(8)11;7-11(9,10)6-2-1-4-8-5-3-6;/h8-10,13H,3-7H2,1-2H3,(H2,17,21,22);3-5H,1-2H3;6,8H,1-5H2,(H2,7,9,10);1H
InChIKeyAJFYAAFQVPLLBS-UHFFFAOYSA-N
MW741.81 g/mol
LogP4.63
Rot. Bonds3

About azepane-4-sulfonamide;4-chloro-6,7-dimethylquinazoline;1-(6,7-dimethylquinazolin-4-yl)azepane-4-sulfonamide;hydrochloride

azepane-4-sulfonamide;4-chloro-6,7-dimethylquinazoline;1-(6,7-dimethylquinazolin-4-yl)azepane-4-sulfonamide;hydrochloride (PubChem CID 158399574) has the molecular formula C32H46Cl2N8O4S2 and a molecular weight of 741.81 g/mol. Its IUPAC name is azepane-4-sulfonamide;4-chloro-6,7-dimethylquinazoline;1-(6,7-dimethylquinazolin-4-yl)azepane-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Nameazepane-4-sulfonamide;4-chloro-6,7-dimethylquinazoline;1-(6,7-dimethylquinazolin-4-yl)azepane-4-sulfonamide;hydrochloride
PubChem CID158399574
Molecular FormulaC32H46Cl2N8O4S2
Molecular Weight741.81 g/mol
Exact Mass740.25
IUPAC Nameazepane-4-sulfonamide;4-chloro-6,7-dimethylquinazoline;1-(6,7-dimethylquinazolin-4-yl)azepane-4-sulfonamide;hydrochloride
SMILESCc1cc2ncnc(Cl)c2cc1C.Cc1cc2ncnc(N3CCCC(S(N)(=O)=O)CC3)c2cc1C.Cl.NS(=O)(=O)C1CCCNCC1
InChIInChI=1S/C16H22N4O2S.C10H9ClN2.C6H14N2O2S.ClH/c1-11-8-14-15(9-12(11)2)18-10-19-16(14)20-6-3-4-13(5-7-20)23(17,21)22;1-6-3-8-9(4-7(6)2)12-5-13-10(8)11;7-11(9,10)6-2-1-4-8-5-3-6;/h8-10,13H,3-7H2,1-2H3,(H2,17,21,22);3-5H,1-2H3;6,8H,1-5H2,(H2,7,9,10);1H
InChIKeyAJFYAAFQVPLLBS-UHFFFAOYSA-N
XLogP4.63
TPSA187.15 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500741.81
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze azepane-4-sulfonamide;4-chloro-6,7-dimethylquinazoline;1-(6,7-dimethylquinazolin-4-yl)azepane-4-sulfonamide;hydrochloride with MolForge

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Related Compounds

6-[bis(4-chlorophenyl)methyl]-N-(1-ethylsulfonylpiperidin-4-yl)quinazolin-4-amine
CID 118916178
6-[bis(4-chlorophenyl)methyl]-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-4-amine
CID 118916210
4-Chloro-6,7-dimethyl-2-(trifluoromethyl)quinazoline;1,4-diazepane;4-(1,4-diazepan-1-yl)-6,7-dimethyl-2-(trifluoromethyl)quinazoline
CID 157360580
4-Chloro-6,7-dimethylquinazoline;6,6-difluoro-1,4-diazepane;4-(6,6-difluoro-1,4-diazepan-1-yl)-6,7-dimethylquinazoline
CID 157924203
N,N'-bis(6,7-dimethylquinazolin-4-yl)decane-1,10-diamine;methanesulfonic acid
CID 21568189
N,N'-bis(6,7-dimethylquinazolin-4-yl)octane-1,8-diamine;methanesulfonic acid
CID 21568203
N,N'-bis(6,7-dimethylquinazolin-4-yl)nonane-1,9-diamine;methanesulfonic acid
CID 21568223
N-[5-[2-[(4-aminocyclohexyl)amino]-7-methylquinazolin-6-yl]-6-methyl-2-pyridinyl]-2-chlorobenzenesulfonamide
CID 137351899
N-[5-[2-[(4-aminocyclohexyl)amino]-7-methylquinazolin-6-yl]-6-ethyl-2-pyridinyl]-2-chlorobenzenesulfonamide
CID 137352585
N-[[1-(6,7-dimethylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
CID 153125993
N-[[1-(6,7-dimethylquinazolin-4-yl)azepan-4-yl]methyl]methanesulfonamide
CID 158201878
1-(6,7-Dimethylquinazolin-4-yl)azepane-4-sulfonamide
CID 158399575

Frequently Asked Questions

What is the IUPAC name of azepane-4-sulfonamide;4-chloro-6,7-dimethylquinazoline;1-(6,7-dimethylquinazolin-4-yl)azepane-4-sulfonamide;hydrochloride?
The IUPAC name of azepane-4-sulfonamide;4-chloro-6,7-dimethylquinazoline;1-(6,7-dimethylquinazolin-4-yl)azepane-4-sulfonamide;hydrochloride (CID 158399574) is azepane-4-sulfonamide;4-chloro-6,7-dimethylquinazoline;1-(6,7-dimethylquinazolin-4-yl)azepane-4-sulfonamide;hydrochloride.
What is the SMILES notation for azepane-4-sulfonamide;4-chloro-6,7-dimethylquinazoline;1-(6,7-dimethylquinazolin-4-yl)azepane-4-sulfonamide;hydrochloride?
The canonical SMILES for azepane-4-sulfonamide;4-chloro-6,7-dimethylquinazoline;1-(6,7-dimethylquinazolin-4-yl)azepane-4-sulfonamide;hydrochloride is Cc1cc2ncnc(Cl)c2cc1C.Cc1cc2ncnc(N3CCCC(S(N)(=O)=O)CC3)c2cc1C.Cl.NS(=O)(=O)C1CCCNCC1.
What is the InChIKey of azepane-4-sulfonamide;4-chloro-6,7-dimethylquinazoline;1-(6,7-dimethylquinazolin-4-yl)azepane-4-sulfonamide;hydrochloride?
The InChIKey is AJFYAAFQVPLLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S.C10H9ClN2.C6H14N2O2S.ClH/c1-11-8-14-15(9-12(11)2)18-10-19-16(14)20-6-3-4-13(5-7-20)23(17,21)22;1-6-3-8-9(4-7(6)2)12-5-13-10(8)11;7-11(9,10)6-2-1-4-8-5-3-6;/h8-10,13H,3-7H2,1-2H3,(H2,17,21,22);3-5H,1-2H3;6,8H,1-5H2,(H2,7,9,10);1H.
What are the key properties of azepane-4-sulfonamide;4-chloro-6,7-dimethylquinazoline;1-(6,7-dimethylquinazolin-4-yl)azepane-4-sulfonamide;hydrochloride?
azepane-4-sulfonamide;4-chloro-6,7-dimethylquinazoline;1-(6,7-dimethylquinazolin-4-yl)azepane-4-sulfonamide;hydrochloride has a molecular weight of 741.81 g/mol, XLogP of 4.63, 3 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for azepane-4-sulfonamide;4-chloro-6,7-dimethylquinazoline;1-(6,7-dimethylquinazolin-4-yl)azepane-4-sulfonamide;hydrochloride is sourced from PubChem (CID 158399574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).