2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine

C156H146Cl2F2N10O15S6 — CID 159573396

IUPAC2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine
SMILESCOc1ccc2ccc(C)cc2c1.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1F.Cc1cc2ccccc2cc1S(C)(=O)=O.Cc1cc2ccccc2cc1S(N)(=O)=O.Cc1cc2ccncc2cc1S(C)(=O)=O.Cc1cc2ccncc2cc1S(N)(=O)=O.Cc1cc2cnccc2cc1S(C)(=O)=O.Cc1cc2cnccc2cc1S(N)(=O)=O.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cc(F)ccc2c1.Cc1ccc2ccc(C(N)=O)cc2c1.Clc1ccc2ccccc2c1
InChIInChI=1S/2C12H11NO.C12H13N.C12H12O2S.C12H12O.C11H9Cl.2C11H9F.3C11H11NO2S.C10H7Cl.2C10H10N2O2S/c1-8-2-3-9-4-5-10(12(13)14)7-11(9)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-9-7-10-5-3-4-6-11(10)8-12(9)15(2,13)14;1-9-3-4-10-5-6-12(13-2)8-11(10)7-9;2*1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-8-5-10-7-12-4-3-9(10)6-11(8)15(2,13)14;1-8-5-9-3-4-12-7-10(9)6-11(8)15(2,13)14;1-8-6-9-4-2-3-5-10(9)7-11(8)15(12,13)14;11-10-6-5-8-3-1-2-4-9(8)7-10;1-7-4-9-6-12-3-2-8(9)5-10(7)15(11,13)14;1-7-4-8-2-3-12-6-9(8)5-10(7)15(11,13)14/h2*2-7H,1H3,(H2,13,14);2-7H,8,13H2,1H3;3-8H,1-2H3;3-8H,1-2H3;3*2-7H,1H3;2*3-7H,1-2H3;2-7H,1H3,(H2,12,13,14);1-7H;2*2-6H,1H3,(H2,11,13,14)
InChIKeyMICGODRCGGYJCE-UHFFFAOYSA-N
MW2702.24 g/mol
LogP34.75
Rot. Bonds10

About 2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine

2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine (PubChem CID 159573396) has the molecular formula C156H146Cl2F2N10O15S6 and a molecular weight of 2702.24 g/mol. Its IUPAC name is 2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine
PubChem CID159573396
Molecular FormulaC156H146Cl2F2N10O15S6
Molecular Weight2702.24 g/mol
Exact Mass2698.86
IUPAC Name2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine
SMILESCOc1ccc2ccc(C)cc2c1.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1F.Cc1cc2ccccc2cc1S(C)(=O)=O.Cc1cc2ccccc2cc1S(N)(=O)=O.Cc1cc2ccncc2cc1S(C)(=O)=O.Cc1cc2ccncc2cc1S(N)(=O)=O.Cc1cc2cnccc2cc1S(C)(=O)=O.Cc1cc2cnccc2cc1S(N)(=O)=O.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cc(F)ccc2c1.Cc1ccc2ccc(C(N)=O)cc2c1.Clc1ccc2ccccc2c1
InChIInChI=1S/2C12H11NO.C12H13N.C12H12O2S.C12H12O.C11H9Cl.2C11H9F.3C11H11NO2S.C10H7Cl.2C10H10N2O2S/c1-8-2-3-9-4-5-10(12(13)14)7-11(9)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-9-7-10-5-3-4-6-11(10)8-12(9)15(2,13)14;1-9-3-4-10-5-6-12(13-2)8-11(10)7-9;2*1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-8-5-10-7-12-4-3-9(10)6-11(8)15(2,13)14;1-8-5-9-3-4-12-7-10(9)6-11(8)15(2,13)14;1-8-6-9-4-2-3-5-10(9)7-11(8)15(12,13)14;11-10-6-5-8-3-1-2-4-9(8)7-10;1-7-4-9-6-12-3-2-8(9)5-10(7)15(11,13)14;1-7-4-8-2-3-12-6-9(8)5-10(7)15(11,13)14/h2*2-7H,1H3,(H2,13,14);2-7H,8,13H2,1H3;3-8H,1-2H3;3-8H,1-2H3;3*2-7H,1H3;2*3-7H,1-2H3;2-7H,1H3,(H2,12,13,14);1-7H;2*2-6H,1H3,(H2,11,13,14)
InChIKeyMICGODRCGGYJCE-UHFFFAOYSA-N
XLogP34.75
TPSA455.89 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds10
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002702.24
LogP ≤ 534.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine with MolForge

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Related Compounds

bis(6-(1-benzylpiperidin-4-yl)oxy-2H-isoquinolin-1-one);6-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;bis(6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one);6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one
CID 157733810
6-(1-benzylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;5-fluoro-6-[1-[[5-fluoro-2-(methyl-methylidene-oxo-lambda6-sulfanyl)phenyl]methyl]piperidin-4-yl]oxy-4-methyl-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one
CID 160677755
4-chloro-3-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide;4-ethyl-3-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide;3-fluoro-5-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide;4-fluoro-3-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide;3-methoxy-5-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide;4-methoxy-3-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide;3-methyl-5-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide;4-methyl-3-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide;3-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide
CID 157132856
1-Chloro-6-fluoro-7-methylnaphthalene;6-chloro-7-methylisoquinoline;7-chloro-6-methylisoquinoline;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;1,6-dichloro-7-methylnaphthalene;6-fluoro-7-methylisoquinoline;7-fluoro-6-methylisoquinoline;2-fluoro-3-methylnaphthalene;2-methoxy-6-methylquinoline;7-methoxy-3-methylquinoline;6-methylisoquinoline-7-carboxamide;7-methylisoquinoline-6-carboxamide;(6-methylisoquinolin-7-yl)methanamine;(7-methylisoquinolin-6-yl)methanamine;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;3-methylquinoline
CID 159332158
bis(1-chloro-2-methyl-4-propan-2-ylbenzene);1-chloro-3-methyl-5-propan-2-ylbenzene;1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1,5-difluoro-3-methyl-2-propan-2-ylbenzene;tris(1-fluoro-2-methyl-4-propan-2-ylbenzene);1-fluoro-3-methyl-5-propan-2-ylbenzene;methane;tris(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methyl-2-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfinamide;5-propan-2-ylisoquinoline;N-(2-propan-2-ylphenyl)formamide;sulfur monoxide
CID 159844029
1-[(1S)-1-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-chlorophenyl)sulfonylurea;1-[(1S)-1-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[1-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-chlorophenyl)sulfonyl-3-[(1R)-2-(3,5-difluorophenyl)-1-(3-naphthalen-2-yl-2-pyridinyl)ethyl]urea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(5-methyl-3-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea
CID 160407650
1-chloro-6-fluoro-7-methylnaphthalene;6-chloro-7-methylisoquinoline;7-chloro-6-methylisoquinoline;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;5-chloro-3-methylnaphthalene-2-sulfonamide;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;1,6-dichloro-7-methylnaphthalene;6-fluoro-7-methylisoquinoline;7-fluoro-6-methylisoquinoline;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-6-methylquinoline;7-methoxy-3-methylquinoline;6-methylisoquinoline-7-carboxamide;7-methylisoquinoline-6-carboxamide;(6-methylisoquinolin-7-yl)methanamine;(7-methylisoquinolin-6-yl)methanamine;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;(3-methylnaphthalen-2-yl)methanamine;3-methylquinoline
CID 172928536
1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;7-chloro-6-methylisoquinoline;1-chloro-7-methyl-6-methylsulfonylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;1,6-dichloro-7-methylnaphthalene;7-fluoro-6-methylisoquinoline;2-methoxy-6-methylquinoline;7-methoxy-3-methylquinoline;6-methylisoquinoline-7-carboxamide;(6-methylisoquinolin-7-yl)methanamine;(7-methylisoquinolin-6-yl)methanamine;3-methylquinoline;6-methylquinoline
CID 172928814
5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;4-methylquinoline;5-methylquinoline
CID 172942457
5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;1-methylisoquinoline;4-methylisoquinoline;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;4-methylquinoline;5-methylquinoline
CID 172942803
1-chloro-6-fluoro-7-methylnaphthalene;6-chloro-7-methylisoquinoline;7-chloro-6-methylisoquinoline;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;1,6-dichloro-7-methylnaphthalene;6-fluoro-7-methylisoquinoline;7-fluoro-6-methylisoquinoline;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-6-methylquinoline;7-methoxy-3-methylquinoline;6-methylisoquinoline;6-methylisoquinoline-7-carboxamide;7-methylisoquinoline-6-carboxamide;(6-methylisoquinolin-7-yl)methanamine;(7-methylisoquinolin-6-yl)methanamine;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;3-methylquinoline
CID 172949212
5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;6-methoxy-2,3-dimethylnaphthalene;1-methylisoquinoline;4-methylisoquinoline;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;4-methylquinoline;5-methylquinoline
CID 172949995

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine?
The IUPAC name of 2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine (CID 159573396) is 2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine.
What is the SMILES notation for 2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine?
The canonical SMILES for 2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine is COc1ccc2ccc(C)cc2c1.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1F.Cc1cc2ccccc2cc1S(C)(=O)=O.Cc1cc2ccccc2cc1S(N)(=O)=O.Cc1cc2ccncc2cc1S(C)(=O)=O.Cc1cc2ccncc2cc1S(N)(=O)=O.Cc1cc2cnccc2cc1S(C)(=O)=O.Cc1cc2cnccc2cc1S(N)(=O)=O.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cc(F)ccc2c1.Cc1ccc2ccc(C(N)=O)cc2c1.Clc1ccc2ccccc2c1.
What is the InChIKey of 2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine?
The InChIKey is MICGODRCGGYJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H11NO.C12H13N.C12H12O2S.C12H12O.C11H9Cl.2C11H9F.3C11H11NO2S.C10H7Cl.2C10H10N2O2S/c1-8-2-3-9-4-5-10(12(13)14)7-11(9)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-9-7-10-5-3-4-6-11(10)8-12(9)15(2,13)14;1-9-3-4-10-5-6-12(13-2)8-11(10)7-9;2*1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-8-5-10-7-12-4-3-9(10)6-11(8)15(2,13)14;1-8-5-9-3-4-12-7-10(9)6-11(8)15(2,13)14;1-8-6-9-4-2-3-5-10(9)7-11(8)15(12,13)14;11-10-6-5-8-3-1-2-4-9(8)7-10;1-7-4-9-6-12-3-2-8(9)5-10(7)15(11,13)14;1-7-4-8-2-3-12-6-9(8)5-10(7)15(11,13)14/h2*2-7H,1H3,(H2,13,14);2-7H,8,13H2,1H3;3-8H,1-2H3;3-8H,1-2H3;3*2-7H,1H3;2*3-7H,1-2H3;2-7H,1H3,(H2,12,13,14);1-7H;2*2-6H,1H3,(H2,11,13,14).
What are the key properties of 2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine?
2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine has a molecular weight of 2702.24 g/mol, XLogP of 34.75, 10 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine is sourced from PubChem (CID 159573396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).