4-chloro-6,7-dimethylquinazoline;6,7-dimethyl-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine

C32H47ClN10O4S2 — CID 165089587

IUPAC4-chloro-6,7-dimethylquinazoline;6,7-dimethyl-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine
SMILESCC1(CCNS(N)(=O)=O)CNC1.Cc1cc2ncnc(Cl)c2cc1C.Cc1cc2ncnc(N3CC(C)(CCNS(N)(=O)=O)C3)c2cc1C
InChIInChI=1S/C16H23N5O2S.C10H9ClN2.C6H15N3O2S/c1-11-6-13-14(7-12(11)2)18-10-19-15(13)21-8-16(3,9-21)4-5-20-24(17,22)23;1-6-3-8-9(4-7(6)2)12-5-13-10(8)11;1-6(4-8-5-6)2-3-9-12(7,10)11/h6-7,10,20H,4-5,8-9H2,1-3H3,(H2,17,22,23);3-5H,1-2H3;8-9H,2-5H2,1H3,(H2,7,10,11)
InChIKeyWMAARQOHFZSMNE-UHFFFAOYSA-N
MW735.38 g/mol
LogP2.94
Rot. Bonds9

About 4-chloro-6,7-dimethylquinazoline;6,7-dimethyl-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine

4-chloro-6,7-dimethylquinazoline;6,7-dimethyl-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine (PubChem CID 165089587) has the molecular formula C32H47ClN10O4S2 and a molecular weight of 735.38 g/mol. Its IUPAC name is 4-chloro-6,7-dimethylquinazoline;6,7-dimethyl-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine.

Molecular Properties

Compound Name4-chloro-6,7-dimethylquinazoline;6,7-dimethyl-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine
PubChem CID165089587
Molecular FormulaC32H47ClN10O4S2
Molecular Weight735.38 g/mol
Exact Mass734.29
IUPAC Name4-chloro-6,7-dimethylquinazoline;6,7-dimethyl-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine
SMILESCC1(CCNS(N)(=O)=O)CNC1.Cc1cc2ncnc(Cl)c2cc1C.Cc1cc2ncnc(N3CC(C)(CCNS(N)(=O)=O)C3)c2cc1C
InChIInChI=1S/C16H23N5O2S.C10H9ClN2.C6H15N3O2S/c1-11-6-13-14(7-12(11)2)18-10-19-15(13)21-8-16(3,9-21)4-5-20-24(17,22)23;1-6-3-8-9(4-7(6)2)12-5-13-10(8)11;1-6(4-8-5-6)2-3-9-12(7,10)11/h6-7,10,20H,4-5,8-9H2,1-3H3,(H2,17,22,23);3-5H,1-2H3;8-9H,2-5H2,1H3,(H2,7,10,11)
InChIKeyWMAARQOHFZSMNE-UHFFFAOYSA-N
XLogP2.94
TPSA211.21 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500735.38
LogP ≤ 52.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 4-chloro-6,7-dimethylquinazoline;6,7-dimethyl-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine with MolForge

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Related Compounds

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
2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethanamine;N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]methanesulfonamide;methanesulfonyl chloride;2,2,2-trifluoroacetic acid
CID 165015060
acetyl chloride;2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethanamine;N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]acetamide;2,2,2-trifluoroacetic acid
CID 165065974
N-[2-(azetidin-3-yl)ethyl]-1,1,1-trifluoromethanesulfonamide;tert-butyl 3-(2-aminoethyl)azetidine-1-carboxylate;tert-butyl 3-[2-(trifluoromethylsulfonylamino)ethyl]azetidine-1-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide;methane
CID 165097146
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)dodecane-1,12-diamine
CID 21568213
N,N'-bis(6,7-dimethylquinazolin-4-yl)nonane-1,9-diamine;methanesulfonic acid
CID 21568223
3-chloro-6-[2-(diethylamino)pyrimidin-5-yl]-4-N-(2,5-dimethylphenyl)quinoline-2,4-diamine
CID 126570273
N-(3-chloro-4-fluorophenyl)-6-[(1-ethylpiperidin-4-yl)methyl]-7-methylquinazolin-4-amine;ethane
CID 142811085
4-Chloro-7-ethyl-6-(piperidin-4-ylmethyl)quinazoline
CID 156371049
Azepane-4-sulfonamide;4-chloro-6,7-dimethylquinazoline;1-(6,7-dimethylquinazolin-4-yl)azepane-4-sulfonamide;hydrochloride
CID 158399574

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,7-dimethylquinazoline;6,7-dimethyl-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine?
The IUPAC name of 4-chloro-6,7-dimethylquinazoline;6,7-dimethyl-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine (CID 165089587) is 4-chloro-6,7-dimethylquinazoline;6,7-dimethyl-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine.
What is the SMILES notation for 4-chloro-6,7-dimethylquinazoline;6,7-dimethyl-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine?
The canonical SMILES for 4-chloro-6,7-dimethylquinazoline;6,7-dimethyl-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine is CC1(CCNS(N)(=O)=O)CNC1.Cc1cc2ncnc(Cl)c2cc1C.Cc1cc2ncnc(N3CC(C)(CCNS(N)(=O)=O)C3)c2cc1C.
What is the InChIKey of 4-chloro-6,7-dimethylquinazoline;6,7-dimethyl-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine?
The InChIKey is WMAARQOHFZSMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S.C10H9ClN2.C6H15N3O2S/c1-11-6-13-14(7-12(11)2)18-10-19-15(13)21-8-16(3,9-21)4-5-20-24(17,22)23;1-6-3-8-9(4-7(6)2)12-5-13-10(8)11;1-6(4-8-5-6)2-3-9-12(7,10)11/h6-7,10,20H,4-5,8-9H2,1-3H3,(H2,17,22,23);3-5H,1-2H3;8-9H,2-5H2,1H3,(H2,7,10,11).
What are the key properties of 4-chloro-6,7-dimethylquinazoline;6,7-dimethyl-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine?
4-chloro-6,7-dimethylquinazoline;6,7-dimethyl-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine has a molecular weight of 735.38 g/mol, XLogP of 2.94, 9 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,7-dimethylquinazoline;6,7-dimethyl-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;3-methyl-3-[2-(sulfamoylamino)ethyl]azetidine is sourced from PubChem (CID 165089587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).