7-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;6-chloro-3-methoxy-2-methylnaphthalene;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-(7-chloro-3-methylnaphthalen-2-yl)acetamide;(7-chloro-3-methylnaphthalen-2-yl)methanesulfonamide;2-(7-chloro-3-methylnaphthalen-2-yl)-N-methylacetamide;1-(7-chloro-3-methylnaphthalen-2-yl)-N-methylmethanesulfonamide;2-chloro-6-methylquinoline;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole

C114H105Cl10N9O8S3 — CID 172983652

IUPAC7-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;6-chloro-3-methoxy-2-methylnaphthalene;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-(7-chloro-3-methylnaphthalen-2-yl)acetamide;(7-chloro-3-methylnaphthalen-2-yl)methanesulfonamide;2-(7-chloro-3-methylnaphthalen-2-yl)-N-methylacetamide;1-(7-chloro-3-methylnaphthalen-2-yl)-N-methylmethanesulfonamide;2-chloro-6-methylquinoline;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole
SMILESCNC(=O)Cc1cc2cc(Cl)ccc2cc1C.CNS(=O)(=O)Cc1cc2cc(Cl)ccc2cc1C.COc1cc2cc(Cl)ccc2cc1C.Cc1cc2cc(Cl)sc2[nH]1.Cc1cc2ccc(Cl)cc2cc1/C(N)=N\O.Cc1cc2ccc(Cl)cc2cc1CC(N)=O.Cc1cc2ccc(Cl)cc2cc1CS(N)(=O)=O.Cc1ccc2cc(Cl)ncc2c1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C14H14ClNO.C13H14ClNO2S.C13H12ClNO.C12H11ClN2O.C12H12ClNO2S.C12H11ClO.C11H9Cl.2C10H8ClN.C7H6ClNS/c1-9-5-10-3-4-13(15)7-12(10)6-11(9)8-14(17)16-2;1-9-5-10-3-4-13(14)7-11(10)6-12(9)8-18(16,17)15-2;1-8-4-9-2-3-12(14)6-11(9)5-10(8)7-13(15)16;1-7-4-8-2-3-10(13)5-9(8)6-11(7)12(14)15-16;1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-17(14,15)16;1-8-5-9-3-4-11(13)6-10(9)7-12(8)14-2;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-3-8-5-10(11)12-6-9(8)4-7;1-4-2-5-3-6(8)10-7(5)9-4/h3-7H,8H2,1-2H3,(H,16,17);3-7,15H,8H2,1-2H3;2-6H,7H2,1H3,(H2,15,16);2-6,16H,1H3,(H2,14,15);2-6H,7H2,1H3,(H2,14,15,16);3-7H,1-2H3;2-7H,1H3;2*2-6H,1H3;2-3,9H,1H3
InChIKeyLZSORTCERDAJKF-UHFFFAOYSA-N
MW2179.88 g/mol
LogP31.45
Rot. Bonds11

About 7-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;6-chloro-3-methoxy-2-methylnaphthalene;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-(7-chloro-3-methylnaphthalen-2-yl)acetamide;(7-chloro-3-methylnaphthalen-2-yl)methanesulfonamide;2-(7-chloro-3-methylnaphthalen-2-yl)-N-methylacetamide;1-(7-chloro-3-methylnaphthalen-2-yl)-N-methylmethanesulfonamide;2-chloro-6-methylquinoline;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole

7-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;6-chloro-3-methoxy-2-methylnaphthalene;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-(7-chloro-3-methylnaphthalen-2-yl)acetamide;(7-chloro-3-methylnaphthalen-2-yl)methanesulfonamide;2-(7-chloro-3-methylnaphthalen-2-yl)-N-methylacetamide;1-(7-chloro-3-methylnaphthalen-2-yl)-N-methylmethanesulfonamide;2-chloro-6-methylquinoline;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole (PubChem CID 172983652) has the molecular formula C114H105Cl10N9O8S3 and a molecular weight of 2179.88 g/mol. Its IUPAC name is 7-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;6-chloro-3-methoxy-2-methylnaphthalene;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-(7-chloro-3-methylnaphthalen-2-yl)acetamide;(7-chloro-3-methylnaphthalen-2-yl)methanesulfonamide;2-(7-chloro-3-methylnaphthalen-2-yl)-N-methylacetamide;1-(7-chloro-3-methylnaphthalen-2-yl)-N-methylmethanesulfonamide;2-chloro-6-methylquinoline;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole.

Molecular Properties

Compound Name7-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;6-chloro-3-methoxy-2-methylnaphthalene;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-(7-chloro-3-methylnaphthalen-2-yl)acetamide;(7-chloro-3-methylnaphthalen-2-yl)methanesulfonamide;2-(7-chloro-3-methylnaphthalen-2-yl)-N-methylacetamide;1-(7-chloro-3-methylnaphthalen-2-yl)-N-methylmethanesulfonamide;2-chloro-6-methylquinoline;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole
PubChem CID172983652
Molecular FormulaC114H105Cl10N9O8S3
Molecular Weight2179.88 g/mol
Exact Mass2173.41
IUPAC Name7-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;6-chloro-3-methoxy-2-methylnaphthalene;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-(7-chloro-3-methylnaphthalen-2-yl)acetamide;(7-chloro-3-methylnaphthalen-2-yl)methanesulfonamide;2-(7-chloro-3-methylnaphthalen-2-yl)-N-methylacetamide;1-(7-chloro-3-methylnaphthalen-2-yl)-N-methylmethanesulfonamide;2-chloro-6-methylquinoline;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole
SMILESCNC(=O)Cc1cc2cc(Cl)ccc2cc1C.CNS(=O)(=O)Cc1cc2cc(Cl)ccc2cc1C.COc1cc2cc(Cl)ccc2cc1C.Cc1cc2cc(Cl)sc2[nH]1.Cc1cc2ccc(Cl)cc2cc1/C(N)=N\O.Cc1cc2ccc(Cl)cc2cc1CC(N)=O.Cc1cc2ccc(Cl)cc2cc1CS(N)(=O)=O.Cc1ccc2cc(Cl)ncc2c1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C14H14ClNO.C13H14ClNO2S.C13H12ClNO.C12H11ClN2O.C12H12ClNO2S.C12H11ClO.C11H9Cl.2C10H8ClN.C7H6ClNS/c1-9-5-10-3-4-13(15)7-12(10)6-11(9)8-14(17)16-2;1-9-5-10-3-4-13(14)7-11(10)6-12(9)8-18(16,17)15-2;1-8-4-9-2-3-12(14)6-11(9)5-10(8)7-13(15)16;1-7-4-8-2-3-10(13)5-9(8)6-11(7)12(14)15-16;1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-17(14,15)16;1-8-5-9-3-4-11(13)6-10(9)7-12(8)14-2;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-3-8-5-10(11)12-6-9(8)4-7;1-4-2-5-3-6(8)10-7(5)9-4/h3-7H,8H2,1-2H3,(H,16,17);3-7,15H,8H2,1-2H3;2-6H,7H2,1H3,(H2,15,16);2-6,16H,1H3,(H2,14,15);2-6H,7H2,1H3,(H2,14,15,16);3-7H,1-2H3;2-7H,1H3;2*2-6H,1H3;2-3,9H,1H3
InChIKeyLZSORTCERDAJKF-UHFFFAOYSA-N
XLogP31.45
TPSA287.93 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002179.88
LogP ≤ 531.45
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

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 7-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;6-chloro-3-methoxy-2-methylnaphthalene;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-(7-chloro-3-methylnaphthalen-2-yl)acetamide;(7-chloro-3-methylnaphthalen-2-yl)methanesulfonamide;2-(7-chloro-3-methylnaphthalen-2-yl)-N-methylacetamide;1-(7-chloro-3-methylnaphthalen-2-yl)-N-methylmethanesulfonamide;2-chloro-6-methylquinoline;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;6-chloro-3-methoxy-2-methylnaphthalene;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-(7-chloro-3-methylnaphthalen-2-yl)acetamide;(7-chloro-3-methylnaphthalen-2-yl)methanesulfonamide;2-(7-chloro-3-methylnaphthalen-2-yl)-N-methylacetamide;1-(7-chloro-3-methylnaphthalen-2-yl)-N-methylmethanesulfonamide;2-chloro-6-methylquinoline;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole?
The IUPAC name of 7-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;6-chloro-3-methoxy-2-methylnaphthalene;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-(7-chloro-3-methylnaphthalen-2-yl)acetamide;(7-chloro-3-methylnaphthalen-2-yl)methanesulfonamide;2-(7-chloro-3-methylnaphthalen-2-yl)-N-methylacetamide;1-(7-chloro-3-methylnaphthalen-2-yl)-N-methylmethanesulfonamide;2-chloro-6-methylquinoline;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole (CID 172983652) is 7-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;6-chloro-3-methoxy-2-methylnaphthalene;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-(7-chloro-3-methylnaphthalen-2-yl)acetamide;(7-chloro-3-methylnaphthalen-2-yl)methanesulfonamide;2-(7-chloro-3-methylnaphthalen-2-yl)-N-methylacetamide;1-(7-chloro-3-methylnaphthalen-2-yl)-N-methylmethanesulfonamide;2-chloro-6-methylquinoline;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole.
What is the SMILES notation for 7-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;6-chloro-3-methoxy-2-methylnaphthalene;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-(7-chloro-3-methylnaphthalen-2-yl)acetamide;(7-chloro-3-methylnaphthalen-2-yl)methanesulfonamide;2-(7-chloro-3-methylnaphthalen-2-yl)-N-methylacetamide;1-(7-chloro-3-methylnaphthalen-2-yl)-N-methylmethanesulfonamide;2-chloro-6-methylquinoline;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole?
The canonical SMILES for 7-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;6-chloro-3-methoxy-2-methylnaphthalene;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-(7-chloro-3-methylnaphthalen-2-yl)acetamide;(7-chloro-3-methylnaphthalen-2-yl)methanesulfonamide;2-(7-chloro-3-methylnaphthalen-2-yl)-N-methylacetamide;1-(7-chloro-3-methylnaphthalen-2-yl)-N-methylmethanesulfonamide;2-chloro-6-methylquinoline;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole is CNC(=O)Cc1cc2cc(Cl)ccc2cc1C.CNS(=O)(=O)Cc1cc2cc(Cl)ccc2cc1C.COc1cc2cc(Cl)ccc2cc1C.Cc1cc2cc(Cl)sc2[nH]1.Cc1cc2ccc(Cl)cc2cc1/C(N)=N\O.Cc1cc2ccc(Cl)cc2cc1CC(N)=O.Cc1cc2ccc(Cl)cc2cc1CS(N)(=O)=O.Cc1ccc2cc(Cl)ncc2c1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 7-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;6-chloro-3-methoxy-2-methylnaphthalene;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-(7-chloro-3-methylnaphthalen-2-yl)acetamide;(7-chloro-3-methylnaphthalen-2-yl)methanesulfonamide;2-(7-chloro-3-methylnaphthalen-2-yl)-N-methylacetamide;1-(7-chloro-3-methylnaphthalen-2-yl)-N-methylmethanesulfonamide;2-chloro-6-methylquinoline;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole?
The InChIKey is LZSORTCERDAJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO.C13H14ClNO2S.C13H12ClNO.C12H11ClN2O.C12H12ClNO2S.C12H11ClO.C11H9Cl.2C10H8ClN.C7H6ClNS/c1-9-5-10-3-4-13(15)7-12(10)6-11(9)8-14(17)16-2;1-9-5-10-3-4-13(14)7-11(10)6-12(9)8-18(16,17)15-2;1-8-4-9-2-3-12(14)6-11(9)5-10(8)7-13(15)16;1-7-4-8-2-3-10(13)5-9(8)6-11(7)12(14)15-16;1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-17(14,15)16;1-8-5-9-3-4-11(13)6-10(9)7-12(8)14-2;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-3-8-5-10(11)12-6-9(8)4-7;1-4-2-5-3-6(8)10-7(5)9-4/h3-7H,8H2,1-2H3,(H,16,17);3-7,15H,8H2,1-2H3;2-6H,7H2,1H3,(H2,15,16);2-6,16H,1H3,(H2,14,15);2-6H,7H2,1H3,(H2,14,15,16);3-7H,1-2H3;2-7H,1H3;2*2-6H,1H3;2-3,9H,1H3.
What are the key properties of 7-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;6-chloro-3-methoxy-2-methylnaphthalene;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-(7-chloro-3-methylnaphthalen-2-yl)acetamide;(7-chloro-3-methylnaphthalen-2-yl)methanesulfonamide;2-(7-chloro-3-methylnaphthalen-2-yl)-N-methylacetamide;1-(7-chloro-3-methylnaphthalen-2-yl)-N-methylmethanesulfonamide;2-chloro-6-methylquinoline;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole?
7-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;6-chloro-3-methoxy-2-methylnaphthalene;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-(7-chloro-3-methylnaphthalen-2-yl)acetamide;(7-chloro-3-methylnaphthalen-2-yl)methanesulfonamide;2-(7-chloro-3-methylnaphthalen-2-yl)-N-methylacetamide;1-(7-chloro-3-methylnaphthalen-2-yl)-N-methylmethanesulfonamide;2-chloro-6-methylquinoline;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole has a molecular weight of 2179.88 g/mol, XLogP of 31.45, 11 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;6-chloro-3-methoxy-2-methylnaphthalene;3-chloro-7-methylisoquinoline;2-chloro-7-methylnaphthalene;2-(7-chloro-3-methylnaphthalen-2-yl)acetamide;(7-chloro-3-methylnaphthalen-2-yl)methanesulfonamide;2-(7-chloro-3-methylnaphthalen-2-yl)-N-methylacetamide;1-(7-chloro-3-methylnaphthalen-2-yl)-N-methylmethanesulfonamide;2-chloro-6-methylquinoline;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole is sourced from PubChem (CID 172983652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).