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

C34H46ClF3N8O6S2 — CID 165015060

IUPAC2-[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
SMILESCS(=O)(=O)Cl.Cc1cc2ncnc(N3CC(CCN)C3)c2cc1C.Cc1cc2ncnc(N3CC(CCNS(C)(=O)=O)C3)c2cc1C.O=C(O)C(F)(F)F
InChIInChI=1S/C16H22N4O2S.C15H20N4.C2HF3O2.CH3ClO2S/c1-11-6-14-15(7-12(11)2)17-10-18-16(14)20-8-13(9-20)4-5-19-23(3,21)22;1-10-5-13-14(6-11(10)2)17-9-18-15(13)19-7-12(8-19)3-4-16;3-2(4,5)1(6)7;1-5(2,3)4/h6-7,10,13,19H,4-5,8-9H2,1-3H3;5-6,9,12H,3-4,7-8,16H2,1-2H3;(H,6,7);1H3
InChIKeyOONQYOKHCOPIQI-UHFFFAOYSA-N
MW819.37 g/mol
LogP4.47
Rot. Bonds8

About 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

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 (PubChem CID 165015060) has the molecular formula C34H46ClF3N8O6S2 and a molecular weight of 819.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID165015060
Molecular FormulaC34H46ClF3N8O6S2
Molecular Weight819.37 g/mol
Exact Mass818.26
IUPAC Name2-[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
SMILESCS(=O)(=O)Cl.Cc1cc2ncnc(N3CC(CCN)C3)c2cc1C.Cc1cc2ncnc(N3CC(CCNS(C)(=O)=O)C3)c2cc1C.O=C(O)C(F)(F)F
InChIInChI=1S/C16H22N4O2S.C15H20N4.C2HF3O2.CH3ClO2S/c1-11-6-14-15(7-12(11)2)17-10-18-16(14)20-8-13(9-20)4-5-19-23(3,21)22;1-10-5-13-14(6-11(10)2)17-9-18-15(13)19-7-12(8-19)3-4-16;3-2(4,5)1(6)7;1-5(2,3)4/h6-7,10,13,19H,4-5,8-9H2,1-3H3;5-6,9,12H,3-4,7-8,16H2,1-2H3;(H,6,7);1H3
InChIKeyOONQYOKHCOPIQI-UHFFFAOYSA-N
XLogP4.47
TPSA201.67 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.37
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

tert-butyl N-[[4-(6,7-dimethylquinazolin-4-yl)-6,6-difluoro-1,4-diazepan-1-yl]sulfonyl]carbamate;4-(6,7-dimethylquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;hydrochloride
CID 161750259
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
4-[7-[[2-Cyano-4-methyl-1-[[3-(sulfamoylamino)-1-bicyclo[1.1.1]pentanyl]methyl]indol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-6-(2,2,2-trifluoroethyl)quinazoline;2,2,2-trifluoroacetic acid
CID 169787984
1-[4-[4-Amino-5-(4-aminophenyl)quinazolin-7-yl]piperidin-1-yl]-2-methylpropan-1-one;2,2,2-trifluoroacetic acid
CID 175450680
N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 165097147
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-[[1-(6,7-dimethylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
CID 153125993
lithium;bis(carbon dioxide);N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;dihydroxide
CID 159495675
tert-butyl N-[4-[(6,7-dimethylquinazolin-4-yl)amino]butylsulfamoyl]carbamate;6,7-dimethyl-4-[4-(sulfamoylamino)butylamino]quinazoline;hydrochloride
CID 159915905

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CS(=O)(=O)Cl.Cc1cc2ncnc(N3CC(CCN)C3)c2cc1C.Cc1cc2ncnc(N3CC(CCNS(C)(=O)=O)C3)c2cc1C.O=C(O)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is OONQYOKHCOPIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S.C15H20N4.C2HF3O2.CH3ClO2S/c1-11-6-14-15(7-12(11)2)17-10-18-16(14)20-8-13(9-20)4-5-19-23(3,21)22;1-10-5-13-14(6-11(10)2)17-9-18-15(13)19-7-12(8-19)3-4-16;3-2(4,5)1(6)7;1-5(2,3)4/h6-7,10,13,19H,4-5,8-9H2,1-3H3;5-6,9,12H,3-4,7-8,16H2,1-2H3;(H,6,7);1H3.
What are the key properties of 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?
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 has a molecular weight of 819.37 g/mol, XLogP of 4.47, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165015060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).