N-amino-N-[(5-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboximidamide;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-3H-isoindol-1-amine;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-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-methyl-1,5-naphthyridine;4-methylquinoline;5-methylquinoline;8-methylquinoline

C297H278Cl5FN34O9S2 — CID 172969932

IUPACN-amino-N-[(5-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboximidamide;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-3H-isoindol-1-amine;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-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-methyl-1,5-naphthyridine;4-methylquinoline;5-methylquinoline;8-methylquinoline
SMILESCOc1ccc2ccc(C)cc2c1.Cc1cc2c(Cl)cccc2cc1C#N.Cc1cc2c(Cl)cccc2cc1CN(N)O.Cc1cc2ccccc2cc1/C(N)=N\O.Cc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1cc2ccccc2cc1S(N)(=O)=O.Cc1ccc2[nH]nc(N)c2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2ccc(C(N)=O)cc2c1.Cc1ccc2ccc(CN)cc2c1.Cc1ccc2onc(N)c2c1.Cc1ccc2snc(N)c2c1.Cc1cccc2cccnc12.Cc1cccc2ccncc12.Cc1cccc2cnccc12.Cc1cccc2ncccc12.Cc1ccnc2ccccc12.Cc1ccnc2cccnc12.Cc1cncc2ccccc12.Cc1nccc2ccccc12.[H]/N=C(\N)c1cc2cccc(Cl)c2cc1C.[H]/N=C(\N)c1cc2ccccc2cc1C
InChIInChI=1S/C12H13ClN2O.C12H11ClN2.C12H8ClN.C12H12N2O.C12H12N2.2C12H11NO.2C12H13N.C12H9N.C12H12O.2C11H9Cl.C11H9F.C11H11NO2S.7C10H9N.C9H10N2.C9H8N2.C9H9NO.C8H9N3.C8H8N2O.C8H8N2S/c1-8-5-11-9(3-2-4-12(11)13)6-10(8)7-15(14)16;1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15;1-8-5-11-9(6-10(8)7-14)3-2-4-12(11)13;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14-15;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-8-2-3-9-4-5-10(12(13)14)7-11(9)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-9-2-4-11-5-3-10(8-13)7-12(11)6-9;2*1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-9-3-4-10-5-6-12(13-2)8-11(10)7-9;1-8-2-3-10-7-11(12)5-4-9(10)6-8;2*1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-8-6-9-4-2-3-5-10(9)7-11(8)15(12,13)14;1-8-4-2-6-10-9(8)5-3-7-11-10;1-8-4-2-5-9-6-3-7-11-10(8)9;1-8-3-2-4-9-7-11-6-5-10(8)9;1-8-3-2-4-9-5-6-11-7-10(8)9;1-8-6-11-7-9-4-2-3-5-10(8)9;1-8-10-5-3-2-4-9(10)6-7-11-8;1-8-6-7-11-10-5-3-2-4-9(8)10;1-6-2-3-7-5-11-9(10)8(7)4-6;1-7-4-6-10-8-3-2-5-11-9(7)8;1-6-2-3-7-5-10-9(11)8(7)4-6;1-5-2-3-7-6(4-5)8(9)11-10-7;2*1-5-2-3-7-6(4-5)8(9)10-11-7/h2-6,16H,7,14H2,1H3;2-6H,1H3,(H3,14,15);2-6H,1H3;2-7,15H,1H3,(H2,13,14);2-7H,1H3,(H3,13,14);2*2-7H,1H3,(H2,13,14);2*2-7H,8,13H2,1H3;2-7H,1H3;3-8H,1-2H3;3*2-7H,1H3;2-7H,1H3,(H2,12,13,14);7*2-7H,1H3;2-4H,5H2,1H3,(H2,10,11);2-6H,1H3;2-4H,5H2,1H3,(H,10,11);2-4H,1H3,(H3,9,10,11);2*2-4H,1H3,(H2,9,10)
InChIKeySDFKMSWWFBDWPK-UHFFFAOYSA-N
MW4728.12 g/mol
LogP70.42
Rot. Bonds11

About N-amino-N-[(5-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboximidamide;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-3H-isoindol-1-amine;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-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-methyl-1,5-naphthyridine;4-methylquinoline;5-methylquinoline;8-methylquinoline

N-amino-N-[(5-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboximidamide;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-3H-isoindol-1-amine;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-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-methyl-1,5-naphthyridine;4-methylquinoline;5-methylquinoline;8-methylquinoline (PubChem CID 172969932) has the molecular formula C297H278Cl5FN34O9S2 and a molecular weight of 4728.12 g/mol. Its IUPAC name is N-amino-N-[(5-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboximidamide;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-3H-isoindol-1-amine;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-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-methyl-1,5-naphthyridine;4-methylquinoline;5-methylquinoline;8-methylquinoline.

Molecular Properties

Compound NameN-amino-N-[(5-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboximidamide;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-3H-isoindol-1-amine;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-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-methyl-1,5-naphthyridine;4-methylquinoline;5-methylquinoline;8-methylquinoline
PubChem CID172969932
Molecular FormulaC297H278Cl5FN34O9S2
Molecular Weight4728.12 g/mol
Exact Mass4722.02
IUPAC NameN-amino-N-[(5-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboximidamide;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-3H-isoindol-1-amine;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-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-methyl-1,5-naphthyridine;4-methylquinoline;5-methylquinoline;8-methylquinoline
SMILESCOc1ccc2ccc(C)cc2c1.Cc1cc2c(Cl)cccc2cc1C#N.Cc1cc2c(Cl)cccc2cc1CN(N)O.Cc1cc2ccccc2cc1/C(N)=N\O.Cc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1cc2ccccc2cc1S(N)(=O)=O.Cc1ccc2[nH]nc(N)c2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2ccc(C(N)=O)cc2c1.Cc1ccc2ccc(CN)cc2c1.Cc1ccc2onc(N)c2c1.Cc1ccc2snc(N)c2c1.Cc1cccc2cccnc12.Cc1cccc2ccncc12.Cc1cccc2cnccc12.Cc1cccc2ncccc12.Cc1ccnc2ccccc12.Cc1ccnc2cccnc12.Cc1cncc2ccccc12.Cc1nccc2ccccc12.[H]/N=C(\N)c1cc2cccc(Cl)c2cc1C.[H]/N=C(\N)c1cc2ccccc2cc1C
InChIInChI=1S/C12H13ClN2O.C12H11ClN2.C12H8ClN.C12H12N2O.C12H12N2.2C12H11NO.2C12H13N.C12H9N.C12H12O.2C11H9Cl.C11H9F.C11H11NO2S.7C10H9N.C9H10N2.C9H8N2.C9H9NO.C8H9N3.C8H8N2O.C8H8N2S/c1-8-5-11-9(3-2-4-12(11)13)6-10(8)7-15(14)16;1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15;1-8-5-11-9(6-10(8)7-14)3-2-4-12(11)13;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14-15;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-8-2-3-9-4-5-10(12(13)14)7-11(9)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-9-2-4-11-5-3-10(8-13)7-12(11)6-9;2*1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-9-3-4-10-5-6-12(13-2)8-11(10)7-9;1-8-2-3-10-7-11(12)5-4-9(10)6-8;2*1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-8-6-9-4-2-3-5-10(9)7-11(8)15(12,13)14;1-8-4-2-6-10-9(8)5-3-7-11-10;1-8-4-2-5-9-6-3-7-11-10(8)9;1-8-3-2-4-9-7-11-6-5-10(8)9;1-8-3-2-4-9-5-6-11-7-10(8)9;1-8-6-11-7-9-4-2-3-5-10(8)9;1-8-10-5-3-2-4-9(10)6-7-11-8;1-8-6-7-11-10-5-3-2-4-9(8)10;1-6-2-3-7-5-11-9(10)8(7)4-6;1-7-4-6-10-8-3-2-5-11-9(7)8;1-6-2-3-7-5-10-9(11)8(7)4-6;1-5-2-3-7-6(4-5)8(9)11-10-7;2*1-5-2-3-7-6(4-5)8(9)10-11-7/h2-6,16H,7,14H2,1H3;2-6H,1H3,(H3,14,15);2-6H,1H3;2-7,15H,1H3,(H2,13,14);2-7H,1H3,(H3,13,14);2*2-7H,1H3,(H2,13,14);2*2-7H,8,13H2,1H3;2-7H,1H3;3-8H,1-2H3;3*2-7H,1H3;2-7H,1H3,(H2,12,13,14);7*2-7H,1H3;2-4H,5H2,1H3,(H2,10,11);2-6H,1H3;2-4H,5H2,1H3,(H,10,11);2-4H,1H3,(H3,9,10,11);2*2-4H,1H3,(H2,9,10)
InChIKeySDFKMSWWFBDWPK-UHFFFAOYSA-N
XLogP70.42
TPSA792.18 Ų
H-Bond Donors19
H-Bond Acceptors36
Rotatable Bonds11
Heavy Atoms348
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004728.12
LogP ≤ 570.42
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1036

Analyze N-amino-N-[(5-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboximidamide;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-3H-isoindol-1-amine;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-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-methyl-1,5-naphthyridine;4-methylquinoline;5-methylquinoline;8-methylquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-amino-N-[(5-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboximidamide;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-3H-isoindol-1-amine;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-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-methyl-1,5-naphthyridine;4-methylquinoline;5-methylquinoline;8-methylquinoline?
The IUPAC name of N-amino-N-[(5-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboximidamide;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-3H-isoindol-1-amine;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-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-methyl-1,5-naphthyridine;4-methylquinoline;5-methylquinoline;8-methylquinoline (CID 172969932) is N-amino-N-[(5-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboximidamide;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-3H-isoindol-1-amine;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-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-methyl-1,5-naphthyridine;4-methylquinoline;5-methylquinoline;8-methylquinoline.
What is the SMILES notation for N-amino-N-[(5-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboximidamide;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-3H-isoindol-1-amine;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-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-methyl-1,5-naphthyridine;4-methylquinoline;5-methylquinoline;8-methylquinoline?
The canonical SMILES for N-amino-N-[(5-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboximidamide;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-3H-isoindol-1-amine;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-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-methyl-1,5-naphthyridine;4-methylquinoline;5-methylquinoline;8-methylquinoline is COc1ccc2ccc(C)cc2c1.Cc1cc2c(Cl)cccc2cc1C#N.Cc1cc2c(Cl)cccc2cc1CN(N)O.Cc1cc2ccccc2cc1/C(N)=N\O.Cc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1cc2ccccc2cc1S(N)(=O)=O.Cc1ccc2[nH]nc(N)c2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2ccc(C(N)=O)cc2c1.Cc1ccc2ccc(CN)cc2c1.Cc1ccc2onc(N)c2c1.Cc1ccc2snc(N)c2c1.Cc1cccc2cccnc12.Cc1cccc2ccncc12.Cc1cccc2cnccc12.Cc1cccc2ncccc12.Cc1ccnc2ccccc12.Cc1ccnc2cccnc12.Cc1cncc2ccccc12.Cc1nccc2ccccc12.[H]/N=C(\N)c1cc2cccc(Cl)c2cc1C.[H]/N=C(\N)c1cc2ccccc2cc1C.
What is the InChIKey of N-amino-N-[(5-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboximidamide;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-3H-isoindol-1-amine;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-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-methyl-1,5-naphthyridine;4-methylquinoline;5-methylquinoline;8-methylquinoline?
The InChIKey is SDFKMSWWFBDWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O.C12H11ClN2.C12H8ClN.C12H12N2O.C12H12N2.2C12H11NO.2C12H13N.C12H9N.C12H12O.2C11H9Cl.C11H9F.C11H11NO2S.7C10H9N.C9H10N2.C9H8N2.C9H9NO.C8H9N3.C8H8N2O.C8H8N2S/c1-8-5-11-9(3-2-4-12(11)13)6-10(8)7-15(14)16;1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15;1-8-5-11-9(6-10(8)7-14)3-2-4-12(11)13;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14-15;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-8-2-3-9-4-5-10(12(13)14)7-11(9)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-9-2-4-11-5-3-10(8-13)7-12(11)6-9;2*1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-9-3-4-10-5-6-12(13-2)8-11(10)7-9;1-8-2-3-10-7-11(12)5-4-9(10)6-8;2*1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-8-6-9-4-2-3-5-10(9)7-11(8)15(12,13)14;1-8-4-2-6-10-9(8)5-3-7-11-10;1-8-4-2-5-9-6-3-7-11-10(8)9;1-8-3-2-4-9-7-11-6-5-10(8)9;1-8-3-2-4-9-5-6-11-7-10(8)9;1-8-6-11-7-9-4-2-3-5-10(8)9;1-8-10-5-3-2-4-9(10)6-7-11-8;1-8-6-7-11-10-5-3-2-4-9(8)10;1-6-2-3-7-5-11-9(10)8(7)4-6;1-7-4-6-10-8-3-2-5-11-9(7)8;1-6-2-3-7-5-10-9(11)8(7)4-6;1-5-2-3-7-6(4-5)8(9)11-10-7;2*1-5-2-3-7-6(4-5)8(9)10-11-7/h2-6,16H,7,14H2,1H3;2-6H,1H3,(H3,14,15);2-6H,1H3;2-7,15H,1H3,(H2,13,14);2-7H,1H3,(H3,13,14);2*2-7H,1H3,(H2,13,14);2*2-7H,8,13H2,1H3;2-7H,1H3;3-8H,1-2H3;3*2-7H,1H3;2-7H,1H3,(H2,12,13,14);7*2-7H,1H3;2-4H,5H2,1H3,(H2,10,11);2-6H,1H3;2-4H,5H2,1H3,(H,10,11);2-4H,1H3,(H3,9,10,11);2*2-4H,1H3,(H2,9,10).
What are the key properties of N-amino-N-[(5-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboximidamide;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-3H-isoindol-1-amine;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-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-methyl-1,5-naphthyridine;4-methylquinoline;5-methylquinoline;8-methylquinoline?
N-amino-N-[(5-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboximidamide;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-3H-isoindol-1-amine;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-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-methyl-1,5-naphthyridine;4-methylquinoline;5-methylquinoline;8-methylquinoline has a molecular weight of 4728.12 g/mol, XLogP of 70.42, 11 rotatable bonds, 19 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-[(5-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboximidamide;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-3H-isoindol-1-amine;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-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-methyl-1,5-naphthyridine;4-methylquinoline;5-methylquinoline;8-methylquinoline is sourced from PubChem (CID 172969932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).