sodium;2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;2-(azidomethyl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-chloroacetonitrile;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3H-quinazolin-4-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;iodomethane;methyl 2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoate;piperidine;propan-2-ol;triphenylphosphane;azide

C132H118Cl11F12IN20NaO12P — CID 158402501

IUPACsodium;2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;2-(azidomethyl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-chloroacetonitrile;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3H-quinazolin-4-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;iodomethane;methyl 2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoate;piperidine;propan-2-ol;triphenylphosphane;azide
SMILESC1CCNCC1.CC(C)O.CI.COC(=O)c1cc(Cl)c(-c2c(F)cccc2OC)c(F)c1N.COc1cccc(F)c1-c1c(Cl)cc(C(=O)O)c(N)c1F.COc1cccc(F)c1-c1c(Cl)cc2c(=O)[nH]c(CCl)nc2c1F.COc1cccc(F)c1-c1c(Cl)cc2c(Cl)nc(CCl)nc2c1F.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCCCC3)nc(CCl)nc2c1F.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCCCC3)nc(CN=[N+]=[N-])nc2c1F.N#CCCl.[N-]=[N+]=[N-].[Na+].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19Cl2F2N3O.C21H19ClF2N6O.C18H15P.C16H9Cl3F2N2O.C16H10Cl2F2N2O2.C15H12ClF2NO3.C14H10ClF2NO3.C5H11N.C3H8O.C2H2ClN.CH3I.N3.Na/c1-29-15-7-5-6-14(24)18(15)17-13(23)10-12-20(19(17)25)26-16(11-22)27-21(12)28-8-3-2-4-9-28;1-31-15-7-5-6-14(23)18(15)17-13(22)10-12-20(19(17)24)27-16(11-26-29-25)28-21(12)30-8-3-2-4-9-30;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-24-10-4-2-3-9(20)13(10)12-8(18)5-7-15(14(12)21)22-11(6-17)23-16(7)19;1-24-10-4-2-3-9(19)13(10)12-8(18)5-7-15(14(12)20)21-11(6-17)22-16(7)23;1-21-10-5-3-4-9(17)12(10)11-8(16)6-7(15(20)22-2)14(19)13(11)18;1-21-9-4-2-3-8(16)11(9)10-7(15)5-6(14(19)20)13(18)12(10)17;1-2-4-6-5-3-1;1-3(2)4;3-1-2-4;1-2;1-3-2;/h5-7,10H,2-4,8-9,11H2,1H3;5-7,10H,2-4,8-9,11H2,1H3;1-15H;2-5H,6H2,1H3;2-5H,6H2,1H3,(H,21,22,23);3-6H,19H2,1-2H3;2-5H,18H2,1H3,(H,19,20);6H,1-5H2;3-4H,1-2H3;1H2;1H3;;/q;;;;;;;;;;;-1;+1
InChIKeyXFJYVPQVADOXKI-UHFFFAOYSA-N
MW2975.35 g/mol
LogP33.40
Rot. Bonds24

About sodium;2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;2-(azidomethyl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-chloroacetonitrile;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3H-quinazolin-4-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;iodomethane;methyl 2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoate;piperidine;propan-2-ol;triphenylphosphane;azide

sodium;2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;2-(azidomethyl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-chloroacetonitrile;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3H-quinazolin-4-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;iodomethane;methyl 2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoate;piperidine;propan-2-ol;triphenylphosphane;azide (PubChem CID 158402501) has the molecular formula C132H118Cl11F12IN20NaO12P and a molecular weight of 2975.35 g/mol. Its IUPAC name is sodium;2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;2-(azidomethyl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-chloroacetonitrile;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3H-quinazolin-4-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;iodomethane;methyl 2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoate;piperidine;propan-2-ol;triphenylphosphane;azide.

Molecular Properties

Compound Namesodium;2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;2-(azidomethyl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-chloroacetonitrile;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3H-quinazolin-4-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;iodomethane;methyl 2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoate;piperidine;propan-2-ol;triphenylphosphane;azide
PubChem CID158402501
Molecular FormulaC132H118Cl11F12IN20NaO12P
Molecular Weight2975.35 g/mol
Exact Mass2968.43
IUPAC Namesodium;2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;2-(azidomethyl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-chloroacetonitrile;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3H-quinazolin-4-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;iodomethane;methyl 2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoate;piperidine;propan-2-ol;triphenylphosphane;azide
SMILESC1CCNCC1.CC(C)O.CI.COC(=O)c1cc(Cl)c(-c2c(F)cccc2OC)c(F)c1N.COc1cccc(F)c1-c1c(Cl)cc(C(=O)O)c(N)c1F.COc1cccc(F)c1-c1c(Cl)cc2c(=O)[nH]c(CCl)nc2c1F.COc1cccc(F)c1-c1c(Cl)cc2c(Cl)nc(CCl)nc2c1F.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCCCC3)nc(CCl)nc2c1F.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCCCC3)nc(CN=[N+]=[N-])nc2c1F.N#CCCl.[N-]=[N+]=[N-].[Na+].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19Cl2F2N3O.C21H19ClF2N6O.C18H15P.C16H9Cl3F2N2O.C16H10Cl2F2N2O2.C15H12ClF2NO3.C14H10ClF2NO3.C5H11N.C3H8O.C2H2ClN.CH3I.N3.Na/c1-29-15-7-5-6-14(24)18(15)17-13(23)10-12-20(19(17)25)26-16(11-22)27-21(12)28-8-3-2-4-9-28;1-31-15-7-5-6-14(23)18(15)17-13(22)10-12-20(19(17)24)27-16(11-26-29-25)28-21(12)30-8-3-2-4-9-30;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-24-10-4-2-3-9(20)13(10)12-8(18)5-7-15(14(12)21)22-11(6-17)23-16(7)19;1-24-10-4-2-3-9(19)13(10)12-8(18)5-7-15(14(12)20)21-11(6-17)22-16(7)23;1-21-10-5-3-4-9(17)12(10)11-8(16)6-7(15(20)22-2)14(19)13(11)18;1-21-9-4-2-3-8(16)11(9)10-7(15)5-6(14(19)20)13(18)12(10)17;1-2-4-6-5-3-1;1-3(2)4;3-1-2-4;1-2;1-3-2;/h5-7,10H,2-4,8-9,11H2,1H3;5-7,10H,2-4,8-9,11H2,1H3;1-15H;2-5H,6H2,1H3;2-5H,6H2,1H3,(H,21,22,23);3-6H,19H2,1-2H3;2-5H,18H2,1H3,(H,19,20);6H,1-5H2;3-4H,1-2H3;1H2;1H3;;/q;;;;;;;;;;;-1;+1
InChIKeyXFJYVPQVADOXKI-UHFFFAOYSA-N
XLogP33.40
TPSA464.10 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002975.35
LogP ≤ 533.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze sodium;2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;2-(azidomethyl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-chloroacetonitrile;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3H-quinazolin-4-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;iodomethane;methyl 2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoate;piperidine;propan-2-ol;triphenylphosphane;azide with MolForge

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Launch Full Analysis

Related Compounds

2-amino-4-bromo-3-fluorobenzoic acid;2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;2-amino-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;tert-butyl (3S)-4-[2,6-dichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-1H-quinazoline-2,4-dione;N,N-dimethylazetidin-3-amine;(2-fluoro-6-methoxyphenyl)boronic acid;palladium;phosphoryl trichloride;propan-2-ol;2,4,6-trichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;tetrakis(triphenylphosphane);urea
CID 157771516
sodium;2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;2-chloroacetonitrile;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3H-quinazolin-4-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;iodomethane;methyl 2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoate;piperidine;propan-2-ol;azide
CID 157853026
2-bromo-1-fluoro-3-methoxybenzene;1-[(3S)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;6-chloro-8-fluoro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline;6-chloro-8-fluoro-3H-quinazolin-4-one;(2S)-2-methylpiperidine
CID 158222120
2-amino-4-bromo-3-fluorobenzoic acid;2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;2-amino-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;tert-butyl (3S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[2,6-dichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-1H-quinazoline-2,4-dione;N,N-dimethylazetidin-3-amine;(2-fluoro-6-methoxyphenyl)boronic acid;palladium;phosphoryl trichloride;propan-2-ol;2,4,6-trichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;tetrakis(triphenylphosphane);urea
CID 158451735
2-(aminochloranuidylmethyl)pyrimidine;tert-butyl (2R)-4-[6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]-2-methylpiperazine-1-carboxylate;tert-butyl (2R)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-2-[[methyl(pyrimidin-2-ylmethyl)amino]methyl]quinazolin-4-yl]-2-methylpiperazine-1-carboxylate;tert-butyl (2R)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-2-(3-pyrimidin-2-ylpropyl)quinazolin-4-yl]-2-methylpiperazine-1-carboxylate;tert-butyl (2R)-2-methylpiperazine-1-carboxylate;2-chloroacetonitrile;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3H-quinazolin-4-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;methyl 2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoate;phosphoryl trichloride;propan-2-ol
CID 158912073
2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;tert-butyl 4-[6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-chloroacetonitrile;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3H-quinazolin-4-one;deuterio(fluoro)methane;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;methyl 2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoate;N-methyl-1-pyrimidin-2-ylmethanamine;phosphoryl trichloride;hydrochloride
CID 159483379
2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;tert-butyl 4-[6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-chloroacetonitrile;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3H-quinazolin-4-one;deuterio(fluoro)methane;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;dimethyl(oxo)phosphanium;methyl 2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoate
CID 160862324
2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;tert-butyl 4-[6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-2-(dimethylphosphorylmethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-chloroacetonitrile;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3H-quinazolin-4-one;deuterio(fluoro)methane;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;dimethyl(oxo)phosphanium;methyl 2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoate
CID 161481850

Frequently Asked Questions

What is the IUPAC name of sodium;2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;2-(azidomethyl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-chloroacetonitrile;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3H-quinazolin-4-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;iodomethane;methyl 2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoate;piperidine;propan-2-ol;triphenylphosphane;azide?
The IUPAC name of sodium;2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;2-(azidomethyl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-chloroacetonitrile;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3H-quinazolin-4-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;iodomethane;methyl 2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoate;piperidine;propan-2-ol;triphenylphosphane;azide (CID 158402501) is sodium;2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;2-(azidomethyl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-chloroacetonitrile;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3H-quinazolin-4-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;iodomethane;methyl 2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoate;piperidine;propan-2-ol;triphenylphosphane;azide.
What is the SMILES notation for sodium;2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;2-(azidomethyl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-chloroacetonitrile;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3H-quinazolin-4-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;iodomethane;methyl 2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoate;piperidine;propan-2-ol;triphenylphosphane;azide?
The canonical SMILES for sodium;2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;2-(azidomethyl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-chloroacetonitrile;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3H-quinazolin-4-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;iodomethane;methyl 2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoate;piperidine;propan-2-ol;triphenylphosphane;azide is C1CCNCC1.CC(C)O.CI.COC(=O)c1cc(Cl)c(-c2c(F)cccc2OC)c(F)c1N.COc1cccc(F)c1-c1c(Cl)cc(C(=O)O)c(N)c1F.COc1cccc(F)c1-c1c(Cl)cc2c(=O)[nH]c(CCl)nc2c1F.COc1cccc(F)c1-c1c(Cl)cc2c(Cl)nc(CCl)nc2c1F.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCCCC3)nc(CCl)nc2c1F.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCCCC3)nc(CN=[N+]=[N-])nc2c1F.N#CCCl.[N-]=[N+]=[N-].[Na+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of sodium;2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;2-(azidomethyl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-chloroacetonitrile;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3H-quinazolin-4-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;iodomethane;methyl 2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoate;piperidine;propan-2-ol;triphenylphosphane;azide?
The InChIKey is XFJYVPQVADOXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2F2N3O.C21H19ClF2N6O.C18H15P.C16H9Cl3F2N2O.C16H10Cl2F2N2O2.C15H12ClF2NO3.C14H10ClF2NO3.C5H11N.C3H8O.C2H2ClN.CH3I.N3.Na/c1-29-15-7-5-6-14(24)18(15)17-13(23)10-12-20(19(17)25)26-16(11-22)27-21(12)28-8-3-2-4-9-28;1-31-15-7-5-6-14(23)18(15)17-13(22)10-12-20(19(17)24)27-16(11-26-29-25)28-21(12)30-8-3-2-4-9-30;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-24-10-4-2-3-9(20)13(10)12-8(18)5-7-15(14(12)21)22-11(6-17)23-16(7)19;1-24-10-4-2-3-9(19)13(10)12-8(18)5-7-15(14(12)20)21-11(6-17)22-16(7)23;1-21-10-5-3-4-9(17)12(10)11-8(16)6-7(15(20)22-2)14(19)13(11)18;1-21-9-4-2-3-8(16)11(9)10-7(15)5-6(14(19)20)13(18)12(10)17;1-2-4-6-5-3-1;1-3(2)4;3-1-2-4;1-2;1-3-2;/h5-7,10H,2-4,8-9,11H2,1H3;5-7,10H,2-4,8-9,11H2,1H3;1-15H;2-5H,6H2,1H3;2-5H,6H2,1H3,(H,21,22,23);3-6H,19H2,1-2H3;2-5H,18H2,1H3,(H,19,20);6H,1-5H2;3-4H,1-2H3;1H2;1H3;;/q;;;;;;;;;;;-1;+1.
What are the key properties of sodium;2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;2-(azidomethyl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-chloroacetonitrile;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3H-quinazolin-4-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;iodomethane;methyl 2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoate;piperidine;propan-2-ol;triphenylphosphane;azide?
sodium;2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;2-(azidomethyl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-chloroacetonitrile;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3H-quinazolin-4-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;iodomethane;methyl 2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoate;piperidine;propan-2-ol;triphenylphosphane;azide has a molecular weight of 2975.35 g/mol, XLogP of 33.40, 24 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoic acid;2-(azidomethyl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-chloroacetonitrile;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;6-chloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3H-quinazolin-4-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;iodomethane;methyl 2-amino-5-chloro-3-fluoro-4-(2-fluoro-6-methoxyphenyl)benzoate;piperidine;propan-2-ol;triphenylphosphane;azide is sourced from PubChem (CID 158402501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).