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

C251H226Cl10F4N24O10S2 — CID 172928536

IUPAC1-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
SMILESCOc1ccc2cc(C)ccc2n1.COc1ccc2cc(C)cnc2c1.Cc1cc2c(Cl)cccc2cc1Cl.Cc1cc2c(Cl)cccc2cc1F.Cc1cc2c(Cl)cccc2cc1S(C)(=O)=O.Cc1cc2c(Cl)cccc2cc1S(N)(=O)=O.Cc1cc2ccccc2cc1/C(N)=N\O.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1cc2ccncc2cc1C(N)=O.Cc1cc2ccncc2cc1CN.Cc1cc2ccncc2cc1Cl.Cc1cc2ccncc2cc1F.Cc1cc2cnccc2cc1C(N)=O.Cc1cc2cnccc2cc1CN.Cc1cc2cnccc2cc1Cl.Cc1cc2cnccc2cc1F.Cc1ccc2nc(Cl)ccc2c1.Cc1cnc2cc(Cl)ccc2c1.Cc1cnc2ccccc2c1.[H]/N=C(\N)c1cc2ccccc2cc1C
InChIInChI=1S/C12H11ClO2S.C12H12N2O.C12H12N2.C12H11NO.C12H13N.C11H8Cl2.C11H8ClF.C11H10ClNO2S.C11H9Cl.C11H9F.2C11H10N2O.2C11H12N2.2C11H11NO.4C10H8ClN.2C10H8FN.C10H9N/c1-8-6-10-9(4-3-5-11(10)13)7-12(8)16(2,14)15;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14-15;2*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;2*1-7-5-9-8(6-11(7)13)3-2-4-10(9)12;1-7-5-9-8(3-2-4-10(9)12)6-11(7)16(13,14)15;2*1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-7-4-9-6-13-3-2-8(9)5-10(7)11(12)14;1-7-4-8-2-3-13-6-9(8)5-10(7)11(12)14;1-8-4-11-7-13-3-2-9(11)5-10(8)6-12;1-8-4-9-2-3-13-7-11(9)5-10(8)6-12;1-8-3-5-10-9(7-8)4-6-11(12-10)13-2;1-8-5-9-3-4-10(13-2)6-11(9)12-7-8;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-4-9-6-12-3-2-8(9)5-10(7)11;1-7-4-8-2-3-12-6-9(8)5-10(7)11;1-7-4-8-2-3-9(11)5-10(8)12-6-7;1-7-4-9-6-12-3-2-8(9)5-10(7)11;1-7-4-8-2-3-12-6-9(8)5-10(7)11;1-8-6-9-4-2-3-5-10(9)11-7-8/h3-7H,1-2H3;2-7,15H,1H3,(H2,13,14);2-7H,1H3,(H3,13,14);2-7H,1H3,(H2,13,14);2-7H,8,13H2,1H3;2*2-6H,1H3;2-6H,1H3,(H2,13,14,15);2*2-7H,1H3;2*2-6H,1H3,(H2,12,14);2*2-5,7H,6,12H2,1H3;2*3-7H,1-2H3;6*2-6H,1H3;2-7H,1H3
InChIKeyNERDFZSRGZSWMJ-UHFFFAOYSA-N
MW4233.38 g/mol
LogP63.75
Rot. Bonds12

About 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

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 (PubChem CID 172928536) has the molecular formula C251H226Cl10F4N24O10S2 and a molecular weight of 4233.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID172928536
Molecular FormulaC251H226Cl10F4N24O10S2
Molecular Weight4233.38 g/mol
Exact Mass4225.42
IUPAC Name1-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
SMILESCOc1ccc2cc(C)ccc2n1.COc1ccc2cc(C)cnc2c1.Cc1cc2c(Cl)cccc2cc1Cl.Cc1cc2c(Cl)cccc2cc1F.Cc1cc2c(Cl)cccc2cc1S(C)(=O)=O.Cc1cc2c(Cl)cccc2cc1S(N)(=O)=O.Cc1cc2ccccc2cc1/C(N)=N\O.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1cc2ccncc2cc1C(N)=O.Cc1cc2ccncc2cc1CN.Cc1cc2ccncc2cc1Cl.Cc1cc2ccncc2cc1F.Cc1cc2cnccc2cc1C(N)=O.Cc1cc2cnccc2cc1CN.Cc1cc2cnccc2cc1Cl.Cc1cc2cnccc2cc1F.Cc1ccc2nc(Cl)ccc2c1.Cc1cnc2cc(Cl)ccc2c1.Cc1cnc2ccccc2c1.[H]/N=C(\N)c1cc2ccccc2cc1C
InChIInChI=1S/C12H11ClO2S.C12H12N2O.C12H12N2.C12H11NO.C12H13N.C11H8Cl2.C11H8ClF.C11H10ClNO2S.C11H9Cl.C11H9F.2C11H10N2O.2C11H12N2.2C11H11NO.4C10H8ClN.2C10H8FN.C10H9N/c1-8-6-10-9(4-3-5-11(10)13)7-12(8)16(2,14)15;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14-15;2*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;2*1-7-5-9-8(6-11(7)13)3-2-4-10(9)12;1-7-5-9-8(3-2-4-10(9)12)6-11(7)16(13,14)15;2*1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-7-4-9-6-13-3-2-8(9)5-10(7)11(12)14;1-7-4-8-2-3-13-6-9(8)5-10(7)11(12)14;1-8-4-11-7-13-3-2-9(11)5-10(8)6-12;1-8-4-9-2-3-13-7-11(9)5-10(8)6-12;1-8-3-5-10-9(7-8)4-6-11(12-10)13-2;1-8-5-9-3-4-10(13-2)6-11(9)12-7-8;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-4-9-6-12-3-2-8(9)5-10(7)11;1-7-4-8-2-3-12-6-9(8)5-10(7)11;1-7-4-8-2-3-9(11)5-10(8)12-6-7;1-7-4-9-6-12-3-2-8(9)5-10(7)11;1-7-4-8-2-3-12-6-9(8)5-10(7)11;1-8-6-9-4-2-3-5-10(9)11-7-8/h3-7H,1-2H3;2-7,15H,1H3,(H2,13,14);2-7H,1H3,(H3,13,14);2-7H,1H3,(H2,13,14);2-7H,8,13H2,1H3;2*2-6H,1H3;2-6H,1H3,(H2,13,14,15);2*2-7H,1H3;2*2-6H,1H3,(H2,12,14);2*2-5,7H,6,12H2,1H3;2*3-7H,1-2H3;6*2-6H,1H3;2-7H,1H3
InChIKeyNERDFZSRGZSWMJ-UHFFFAOYSA-N
XLogP63.75
TPSA596.14 Ų
H-Bond Donors11
H-Bond Acceptors28
Rotatable Bonds12
Heavy Atoms301
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004233.38
LogP ≤ 563.75
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2cc(C)ccc2n1.COc1ccc2cc(C)cnc2c1.Cc1cc2c(Cl)cccc2cc1Cl.Cc1cc2c(Cl)cccc2cc1F.Cc1cc2c(Cl)cccc2cc1S(C)(=O)=O.Cc1cc2c(Cl)cccc2cc1S(N)(=O)=O.Cc1cc2ccccc2cc1/C(N)=N\O.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1cc2ccncc2cc1C(N)=O.Cc1cc2ccncc2cc1CN.Cc1cc2ccncc2cc1Cl.Cc1cc2ccncc2cc1F.Cc1cc2cnccc2cc1C(N)=O.Cc1cc2cnccc2cc1CN.Cc1cc2cnccc2cc1Cl.Cc1cc2cnccc2cc1F.Cc1ccc2nc(Cl)ccc2c1.Cc1cnc2cc(Cl)ccc2c1.Cc1cnc2ccccc2c1.[H]/N=C(\N)c1cc2ccccc2cc1C.
What is the InChIKey of 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?
The InChIKey is NERDFZSRGZSWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO2S.C12H12N2O.C12H12N2.C12H11NO.C12H13N.C11H8Cl2.C11H8ClF.C11H10ClNO2S.C11H9Cl.C11H9F.2C11H10N2O.2C11H12N2.2C11H11NO.4C10H8ClN.2C10H8FN.C10H9N/c1-8-6-10-9(4-3-5-11(10)13)7-12(8)16(2,14)15;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14-15;2*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;2*1-7-5-9-8(6-11(7)13)3-2-4-10(9)12;1-7-5-9-8(3-2-4-10(9)12)6-11(7)16(13,14)15;2*1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-7-4-9-6-13-3-2-8(9)5-10(7)11(12)14;1-7-4-8-2-3-13-6-9(8)5-10(7)11(12)14;1-8-4-11-7-13-3-2-9(11)5-10(8)6-12;1-8-4-9-2-3-13-7-11(9)5-10(8)6-12;1-8-3-5-10-9(7-8)4-6-11(12-10)13-2;1-8-5-9-3-4-10(13-2)6-11(9)12-7-8;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-4-9-6-12-3-2-8(9)5-10(7)11;1-7-4-8-2-3-12-6-9(8)5-10(7)11;1-7-4-8-2-3-9(11)5-10(8)12-6-7;1-7-4-9-6-12-3-2-8(9)5-10(7)11;1-7-4-8-2-3-12-6-9(8)5-10(7)11;1-8-6-9-4-2-3-5-10(9)11-7-8/h3-7H,1-2H3;2-7,15H,1H3,(H2,13,14);2-7H,1H3,(H3,13,14);2-7H,1H3,(H2,13,14);2-7H,8,13H2,1H3;2*2-6H,1H3;2-6H,1H3,(H2,13,14,15);2*2-7H,1H3;2*2-6H,1H3,(H2,12,14);2*2-5,7H,6,12H2,1H3;2*3-7H,1-2H3;6*2-6H,1H3;2-7H,1H3.
What are the key properties of 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?
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 has a molecular weight of 4233.38 g/mol, XLogP of 63.75, 12 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172928536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).