5-chloro-2,3-dimethylthiophene;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine

C116H122ClN23O5S — CID 159350049

IUPAC5-chloro-2,3-dimethylthiophene;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine
SMILESCOc1ccc(C)c(CNc2ccccc2)c1.Cc1cc(Cl)sc1C.Cc1cc2cnccc2cc1C(N)=O.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.Cc1ccc2onc(N)c2c1.Cc1ccccc1C(N)=O.Cc1cn[nH]c1
InChIInChI=1S/C15H17NO.C11H10N2O.C10H10N2.3C9H9N3.C9H10N2.C9H9NO.C9H9N.C8H8N2O.C8H9NO.C6H7ClS.C4H6N2/c1-12-8-9-15(17-2)10-13(12)11-16-14-6-4-3-5-7-14;1-7-4-9-6-13-3-2-8(9)5-10(7)11(12)14;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-8-7(4-6)5-11-12-9(8)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-2-3-7-5-11-9(10)8(7)4-6;1-6-2-3-7-5-10-9(11)8(7)4-6;1-7-2-3-9-8(6-7)4-5-10-9;1-5-2-3-7-6(4-5)8(9)10-11-7;1-6-4-2-3-5-7(6)8(9)10;1-4-3-6(7)8-5(4)2;1-4-2-5-6-3-4/h3-10,16H,11H2,1-2H3;2-6H,1H3,(H2,12,14);2-6H,1H3,(H2,11,12);2-5H,1H3,(H2,10,11,12);2*2-5H,1H3,(H2,10,12);2-4H,5H2,1H3,(H2,10,11);2-4H,5H2,1H3,(H,10,11);2-6,10H,1H3;2-4H,1H3,(H2,9,10);2-5H,1H3,(H2,9,10);3H,1-2H3;2-3H,1H3,(H,5,6)
InChIKeyLHFBMDHZMRCRER-UHFFFAOYSA-N
MW1985.93 g/mol
LogP23.42
Rot. Bonds6

About 5-chloro-2,3-dimethylthiophene;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine

5-chloro-2,3-dimethylthiophene;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine (PubChem CID 159350049) has the molecular formula C116H122ClN23O5S and a molecular weight of 1985.93 g/mol. Its IUPAC name is 5-chloro-2,3-dimethylthiophene;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine.

Molecular Properties

Compound Name5-chloro-2,3-dimethylthiophene;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine
PubChem CID159350049
Molecular FormulaC116H122ClN23O5S
Molecular Weight1985.93 g/mol
Exact Mass1983.94
IUPAC Name5-chloro-2,3-dimethylthiophene;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine
SMILESCOc1ccc(C)c(CNc2ccccc2)c1.Cc1cc(Cl)sc1C.Cc1cc2cnccc2cc1C(N)=O.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.Cc1ccc2onc(N)c2c1.Cc1ccccc1C(N)=O.Cc1cn[nH]c1
InChIInChI=1S/C15H17NO.C11H10N2O.C10H10N2.3C9H9N3.C9H10N2.C9H9NO.C9H9N.C8H8N2O.C8H9NO.C6H7ClS.C4H6N2/c1-12-8-9-15(17-2)10-13(12)11-16-14-6-4-3-5-7-14;1-7-4-9-6-13-3-2-8(9)5-10(7)11(12)14;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-8-7(4-6)5-11-12-9(8)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-2-3-7-5-11-9(10)8(7)4-6;1-6-2-3-7-5-10-9(11)8(7)4-6;1-7-2-3-9-8(6-7)4-5-10-9;1-5-2-3-7-6(4-5)8(9)10-11-7;1-6-4-2-3-5-7(6)8(9)10;1-4-3-6(7)8-5(4)2;1-4-2-5-6-3-4/h3-10,16H,11H2,1-2H3;2-6H,1H3,(H2,12,14);2-6H,1H3,(H2,11,12);2-5H,1H3,(H2,10,11,12);2*2-5H,1H3,(H2,10,12);2-4H,5H2,1H3,(H2,10,11);2-4H,5H2,1H3,(H,10,11);2-6,10H,1H3;2-4H,1H3,(H2,9,10);2-5H,1H3,(H2,9,10);3H,1-2H3;2-3H,1H3,(H,5,6)
InChIKeyLHFBMDHZMRCRER-UHFFFAOYSA-N
XLogP23.42
TPSA478.64 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds6
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001985.93
LogP ≤ 523.42
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Analyze 5-chloro-2,3-dimethylthiophene;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine with MolForge

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Related Compounds

(4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 163985994
2-chloro-3-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)oxymethanamine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[3,2-c]pyridin-4-amine
CID 157237907
4-tert-butyl-1,2-benzoxazol-3-amine;7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylpyrido[3,2-d]pyrimidine;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
CID 157323746
6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;3-methyl-5H-cyclopenta[b]pyridine;3-methyl-5H-cyclopenta[c]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;6-methyl-1H-isoindole;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;5-methyl-3H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,4-c]pyridine
CID 157402732
2-chloro-6-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;7-methylnaphthalene-2-carboxamide;(7-methylnaphthalen-2-yl)methanamine;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine
CID 157626372
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-chloro-2-methyl-1H-indole;3-chloro-2-methyl-1,7-naphthyridin-8-amine;6-fluoro-7-methylisoquinolin-1-amine;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;2-methyl-1,8-naphthyridine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 157677263
2,7-dimethylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;3-methyl-5H-cyclopenta[b]pyridine;3-methyl-5H-cyclopenta[c]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;6-methyl-1H-isoindole;N-(7-methylnaphthalen-2-yl)formamide;(7-methylnaphthalen-2-yl)methanol;5-methyl-1H-pyrazolo[5,4-b]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine
CID 157698431
3-chloro-1-methyl-5-propan-2-ylindazole;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
CID 157713547
5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;7-methylnaphthalene-2-carboxamide;(7-methylnaphthalen-2-yl)methanamine;5-methyl-1H-pyrazolo[5,4-b]pyridine;6-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine
CID 157728885
2-chloro-3-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-isoindol-1-amine;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[3,2-c]pyridin-4-amine;5-methyl-1H-indazole;6-methyl-3H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;2-methylthieno[3,2-c]pyridin-4-amine;molecular hydrogen
CID 157738224
3-(3-Chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-chlorothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3,13-dimethyl-5-oxa-4,7,9,11,13,14-hexazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(14),2(6),3,8(15),9,11-hexaene;3-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-fluoro-5-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxy-3,5-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157793251
2,7-dimethylnaphthalene;bis(5-methyl-1,2-benzothiazol-3-amine);bis(5-methyl-1,2-benzoxazol-3-amine);5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[3,2-c]pyridin-4-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;bis(6-methyl-3H-isoindol-1-amine);6-methyl-1H-isoindole;N-(7-methylnaphthalen-2-yl)formamide;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[3,2-c]pyridin-4-amine
CID 157832637

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-dimethylthiophene;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine?
The IUPAC name of 5-chloro-2,3-dimethylthiophene;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine (CID 159350049) is 5-chloro-2,3-dimethylthiophene;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine.
What is the SMILES notation for 5-chloro-2,3-dimethylthiophene;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine?
The canonical SMILES for 5-chloro-2,3-dimethylthiophene;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine is COc1ccc(C)c(CNc2ccccc2)c1.Cc1cc(Cl)sc1C.Cc1cc2cnccc2cc1C(N)=O.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.Cc1ccc2onc(N)c2c1.Cc1ccccc1C(N)=O.Cc1cn[nH]c1.
What is the InChIKey of 5-chloro-2,3-dimethylthiophene;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine?
The InChIKey is LHFBMDHZMRCRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.C11H10N2O.C10H10N2.3C9H9N3.C9H10N2.C9H9NO.C9H9N.C8H8N2O.C8H9NO.C6H7ClS.C4H6N2/c1-12-8-9-15(17-2)10-13(12)11-16-14-6-4-3-5-7-14;1-7-4-9-6-13-3-2-8(9)5-10(7)11(12)14;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-8-7(4-6)5-11-12-9(8)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-2-3-7-5-11-9(10)8(7)4-6;1-6-2-3-7-5-10-9(11)8(7)4-6;1-7-2-3-9-8(6-7)4-5-10-9;1-5-2-3-7-6(4-5)8(9)10-11-7;1-6-4-2-3-5-7(6)8(9)10;1-4-3-6(7)8-5(4)2;1-4-2-5-6-3-4/h3-10,16H,11H2,1-2H3;2-6H,1H3,(H2,12,14);2-6H,1H3,(H2,11,12);2-5H,1H3,(H2,10,11,12);2*2-5H,1H3,(H2,10,12);2-4H,5H2,1H3,(H2,10,11);2-4H,5H2,1H3,(H,10,11);2-6,10H,1H3;2-4H,1H3,(H2,9,10);2-5H,1H3,(H2,9,10);3H,1-2H3;2-3H,1H3,(H,5,6).
What are the key properties of 5-chloro-2,3-dimethylthiophene;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine?
5-chloro-2,3-dimethylthiophene;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine has a molecular weight of 1985.93 g/mol, XLogP of 23.42, 6 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dimethylthiophene;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine is sourced from PubChem (CID 159350049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).