2-amino-4-chloro-3-fluoro-5-methylbenzoic acid;tert-butyl 4-(7-chloro-8-fluoro-6-methylquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;4,7-dichloro-8-fluoro-6-methylquinazoline;ethanimine;2-ethoxyethanol;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride;thionyl dichloride

C114H128BCl8F9N20O16S — CID 159112858

IUPAC2-amino-4-chloro-3-fluoro-5-methylbenzoic acid;tert-butyl 4-(7-chloro-8-fluoro-6-methylquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;4,7-dichloro-8-fluoro-6-methylquinazoline;ethanimine;2-ethoxyethanol;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride;thionyl dichloride
SMILESC=CC(=O)Cl.C=CC(=O)N1CCN(c2ncnc3c(F)c(-c4ccccc4F)c(C)cc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.CCOCCO.Cc1cc(C(=O)O)c(N)c(F)c1Cl.Cc1cc2c(=O)[nH]cnc2c(F)c1Cl.Cc1cc2c(Cl)ncnc2c(F)c1Cl.Cc1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2c(F)c1-c1ccccc1F.Cc1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2c(F)c1Cl.O=S(Cl)Cl.OB(O)c1ccccc1F.[H]/N=C/C
InChIInChI=1S/C24H26F2N4O2.C22H20F2N4O.C18H22ClFN4O2.C9H5Cl2FN2.C9H6ClFN2O.C9H18N2O2.C8H7ClFNO2.C6H6BFO2.C4H10O2.C3H3ClO.C2H5N.Cl2OS/c1-15-13-17-21(20(26)19(15)16-7-5-6-8-18(16)25)27-14-28-22(17)29-9-11-30(12-10-29)23(31)32-24(2,3)4;1-3-18(29)27-8-10-28(11-9-27)22-16-12-14(2)19(15-6-4-5-7-17(15)23)20(24)21(16)25-13-26-22;1-11-9-12-15(14(20)13(11)19)21-10-22-16(12)23-5-7-24(8-6-23)17(25)26-18(2,3)4;1-4-2-5-8(7(12)6(4)10)13-3-14-9(5)11;1-4-2-5-8(7(11)6(4)10)12-3-13-9(5)14;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-3-2-4(8(12)13)7(11)6(10)5(3)9;8-6-4-2-1-3-5(6)7(9)10;1-2-6-4-3-5;1-2-3(4)5;1-2-3;1-4(2)3/h5-8,13-14H,9-12H2,1-4H3;3-7,12-13H,1,8-11H2,2H3;9-10H,5-8H2,1-4H3;2-3H,1H3;2-3H,1H3,(H,12,13,14);10H,4-7H2,1-3H3;2H,11H2,1H3,(H,12,13);1-4,9-10H;5H,2-4H2,1H3;2H,1H2;2-3H,1H3;/b;;;;;;;;;;3-2+;
InChIKeyKESGNPSJFAQPFP-UVTUYQIDSA-N
MW2531.89 g/mol
LogP22.91
Rot. Bonds12

About 2-amino-4-chloro-3-fluoro-5-methylbenzoic acid;tert-butyl 4-(7-chloro-8-fluoro-6-methylquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;4,7-dichloro-8-fluoro-6-methylquinazoline;ethanimine;2-ethoxyethanol;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride;thionyl dichloride

2-amino-4-chloro-3-fluoro-5-methylbenzoic acid;tert-butyl 4-(7-chloro-8-fluoro-6-methylquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;4,7-dichloro-8-fluoro-6-methylquinazoline;ethanimine;2-ethoxyethanol;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride;thionyl dichloride (PubChem CID 159112858) has the molecular formula C114H128BCl8F9N20O16S and a molecular weight of 2531.89 g/mol. Its IUPAC name is 2-amino-4-chloro-3-fluoro-5-methylbenzoic acid;tert-butyl 4-(7-chloro-8-fluoro-6-methylquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;4,7-dichloro-8-fluoro-6-methylquinazoline;ethanimine;2-ethoxyethanol;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride;thionyl dichloride.

Molecular Properties

Compound Name2-amino-4-chloro-3-fluoro-5-methylbenzoic acid;tert-butyl 4-(7-chloro-8-fluoro-6-methylquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;4,7-dichloro-8-fluoro-6-methylquinazoline;ethanimine;2-ethoxyethanol;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride;thionyl dichloride
PubChem CID159112858
Molecular FormulaC114H128BCl8F9N20O16S
Molecular Weight2531.89 g/mol
Exact Mass2526.70
IUPAC Name2-amino-4-chloro-3-fluoro-5-methylbenzoic acid;tert-butyl 4-(7-chloro-8-fluoro-6-methylquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;4,7-dichloro-8-fluoro-6-methylquinazoline;ethanimine;2-ethoxyethanol;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride;thionyl dichloride
SMILESC=CC(=O)Cl.C=CC(=O)N1CCN(c2ncnc3c(F)c(-c4ccccc4F)c(C)cc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.CCOCCO.Cc1cc(C(=O)O)c(N)c(F)c1Cl.Cc1cc2c(=O)[nH]cnc2c(F)c1Cl.Cc1cc2c(Cl)ncnc2c(F)c1Cl.Cc1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2c(F)c1-c1ccccc1F.Cc1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2c(F)c1Cl.O=S(Cl)Cl.OB(O)c1ccccc1F.[H]/N=C/C
InChIInChI=1S/C24H26F2N4O2.C22H20F2N4O.C18H22ClFN4O2.C9H5Cl2FN2.C9H6ClFN2O.C9H18N2O2.C8H7ClFNO2.C6H6BFO2.C4H10O2.C3H3ClO.C2H5N.Cl2OS/c1-15-13-17-21(20(26)19(15)16-7-5-6-8-18(16)25)27-14-28-22(17)29-9-11-30(12-10-29)23(31)32-24(2,3)4;1-3-18(29)27-8-10-28(11-9-27)22-16-12-14(2)19(15-6-4-5-7-17(15)23)20(24)21(16)25-13-26-22;1-11-9-12-15(14(20)13(11)19)21-10-22-16(12)23-5-7-24(8-6-23)17(25)26-18(2,3)4;1-4-2-5-8(7(12)6(4)10)13-3-14-9(5)11;1-4-2-5-8(7(11)6(4)10)12-3-13-9(5)14;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-3-2-4(8(12)13)7(11)6(10)5(3)9;8-6-4-2-1-3-5(6)7(9)10;1-2-6-4-3-5;1-2-3(4)5;1-2-3;1-4(2)3/h5-8,13-14H,9-12H2,1-4H3;3-7,12-13H,1,8-11H2,2H3;9-10H,5-8H2,1-4H3;2-3H,1H3;2-3H,1H3,(H,12,13,14);10H,4-7H2,1-3H3;2H,11H2,1H3,(H,12,13);1-4,9-10H;5H,2-4H2,1H3;2H,1H2;2-3H,1H3;/b;;;;;;;;;;3-2+;
InChIKeyKESGNPSJFAQPFP-UVTUYQIDSA-N
XLogP22.91
TPSA470.78 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds12
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002531.89
LogP ≤ 522.91
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-amino-4-chloro-3-fluoro-5-methylbenzoic acid;tert-butyl 4-(7-chloro-8-fluoro-6-methylquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;4,7-dichloro-8-fluoro-6-methylquinazoline;ethanimine;2-ethoxyethanol;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride;thionyl dichloride with MolForge

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Related Compounds

lithium;acetic acid;acetyl chloride;2-amino-4-chloro-5-methylbenzoic acid;tert-butyl 4-(7-chloro-6-methylquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-methyl-3H-quinazolin-4-one;4,7-dichloro-6-methylquinazoline;ethanol;(2-fluorophenyl)boronic acid;methane;methanimidamide;methyl 2-acetamido-4-chloro-5-iodobenzoate;methyl 2-acetamido-4-chloro-5-methylbenzoate;methyl 2-amino-4-chlorobenzoate;methyl 2-amino-4-chloro-5-iodobenzoate;methyl 2-amino-4-chloro-5-methylbenzoate;methyl 2,2-difluoro-2-fluorosulfonylacetate;thionyl dichloride;hydroxide
CID 157372089
tert-butyl 4-(7-chloro-8-fluoro-6-methylquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;4,7-dichloro-8-fluoro-6-methylquinazoline;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride;thionyl dichloride
CID 159671056
Benzyl acetate;2-[1,4-bis(phenylmethoxycarbonyl)piperazin-2-yl]acetic acid;2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]acetamide;2-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetamide;dibenzyl 2-(2-amino-2-oxoethyl)piperazine-1,4-dicarboxylate;dibenzyl 2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate;4,7-dichloro-6-(4-chlorophenyl)quinazoline;2-piperidin-3-ylacetamide;2-piperidin-3-ylethanol;prop-2-enoyl chloride
CID 159739740
2-amino-4-chloro-3-fluoro-5-methylbenzoic acid;tert-butyl 4-(7-chloro-8-fluoro-6-methylquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;4,7-dichloro-8-fluoro-6-methylquinazoline;ethanimine;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluorophenyl)boronic acid;2-methoxyethanol;prop-2-enoyl chloride;thionyl dichloride
CID 161202797
tert-butyl 4-[7-chloro-6-(2-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(2-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(2-chlorophenyl)-3H-quinazolin-4-one;1-[4-[7-chloro-6-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-chlorophenyl)boronic acid;4,7-dichloro-6-(2-chlorophenyl)quinazoline;N,N-diethylethanamine;methane;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;methyl 2-amino-4-chloro-5-(2-chlorophenyl)benzoate;prop-2-enoyl chloride;dihydrochloride
CID 161371525
tert-butyl 4-[7-chloro-6-(2-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(2-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(2-chlorophenyl)-3H-quinazolin-4-one;1-[4-[7-chloro-6-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-chlorophenyl)boronic acid;4,7-dichloro-6-(2-chlorophenyl)quinazoline;N,N-diethylethanamine;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;methyl 2-amino-4-chloro-5-(2-chlorophenyl)benzoate;prop-2-enoyl chloride;dihydrochloride
CID 161381632
2-acetamido-4-chloro-3-fluoro-5-methylbenzoic acid;2-amino-4-chloro-3-fluoro-5-methylbenzoic acid;tert-butyl 4-(7-chloro-8-fluoro-6-methylquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;4,7-dichloro-8-fluoro-6-methylquinazoline;ethanimine;2-ethoxyethanol;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluorophenyl)boronic acid;methane;prop-2-enoyl chloride;thionyl dichloride
CID 167533227
tert-butyl 4-[7-chloro-6-(2-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(2-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(2-chlorophenyl)-3H-quinazolin-4-one;(2-chlorophenyl)boronic acid;4,7-dichloro-6-(2-chlorophenyl)quinazoline;N,N-diethylethanamine;methane;methanol;methyl 2-amino-5-bromo-4-chlorobenzoate;methyl 2-amino-4-chloro-5-(2-chlorophenyl)benzoate;prop-2-enoyl chloride;dihydrochloride
CID 167614028

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-3-fluoro-5-methylbenzoic acid;tert-butyl 4-(7-chloro-8-fluoro-6-methylquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;4,7-dichloro-8-fluoro-6-methylquinazoline;ethanimine;2-ethoxyethanol;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride;thionyl dichloride?
The IUPAC name of 2-amino-4-chloro-3-fluoro-5-methylbenzoic acid;tert-butyl 4-(7-chloro-8-fluoro-6-methylquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;4,7-dichloro-8-fluoro-6-methylquinazoline;ethanimine;2-ethoxyethanol;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride;thionyl dichloride (CID 159112858) is 2-amino-4-chloro-3-fluoro-5-methylbenzoic acid;tert-butyl 4-(7-chloro-8-fluoro-6-methylquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;4,7-dichloro-8-fluoro-6-methylquinazoline;ethanimine;2-ethoxyethanol;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride;thionyl dichloride.
What is the SMILES notation for 2-amino-4-chloro-3-fluoro-5-methylbenzoic acid;tert-butyl 4-(7-chloro-8-fluoro-6-methylquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;4,7-dichloro-8-fluoro-6-methylquinazoline;ethanimine;2-ethoxyethanol;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride;thionyl dichloride?
The canonical SMILES for 2-amino-4-chloro-3-fluoro-5-methylbenzoic acid;tert-butyl 4-(7-chloro-8-fluoro-6-methylquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;4,7-dichloro-8-fluoro-6-methylquinazoline;ethanimine;2-ethoxyethanol;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride;thionyl dichloride is C=CC(=O)Cl.C=CC(=O)N1CCN(c2ncnc3c(F)c(-c4ccccc4F)c(C)cc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.CCOCCO.Cc1cc(C(=O)O)c(N)c(F)c1Cl.Cc1cc2c(=O)[nH]cnc2c(F)c1Cl.Cc1cc2c(Cl)ncnc2c(F)c1Cl.Cc1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2c(F)c1-c1ccccc1F.Cc1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2c(F)c1Cl.O=S(Cl)Cl.OB(O)c1ccccc1F.[H]/N=C/C.
What is the InChIKey of 2-amino-4-chloro-3-fluoro-5-methylbenzoic acid;tert-butyl 4-(7-chloro-8-fluoro-6-methylquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;4,7-dichloro-8-fluoro-6-methylquinazoline;ethanimine;2-ethoxyethanol;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride;thionyl dichloride?
The InChIKey is KESGNPSJFAQPFP-UVTUYQIDSA-N. The full InChI is InChI=1S/C24H26F2N4O2.C22H20F2N4O.C18H22ClFN4O2.C9H5Cl2FN2.C9H6ClFN2O.C9H18N2O2.C8H7ClFNO2.C6H6BFO2.C4H10O2.C3H3ClO.C2H5N.Cl2OS/c1-15-13-17-21(20(26)19(15)16-7-5-6-8-18(16)25)27-14-28-22(17)29-9-11-30(12-10-29)23(31)32-24(2,3)4;1-3-18(29)27-8-10-28(11-9-27)22-16-12-14(2)19(15-6-4-5-7-17(15)23)20(24)21(16)25-13-26-22;1-11-9-12-15(14(20)13(11)19)21-10-22-16(12)23-5-7-24(8-6-23)17(25)26-18(2,3)4;1-4-2-5-8(7(12)6(4)10)13-3-14-9(5)11;1-4-2-5-8(7(11)6(4)10)12-3-13-9(5)14;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-3-2-4(8(12)13)7(11)6(10)5(3)9;8-6-4-2-1-3-5(6)7(9)10;1-2-6-4-3-5;1-2-3(4)5;1-2-3;1-4(2)3/h5-8,13-14H,9-12H2,1-4H3;3-7,12-13H,1,8-11H2,2H3;9-10H,5-8H2,1-4H3;2-3H,1H3;2-3H,1H3,(H,12,13,14);10H,4-7H2,1-3H3;2H,11H2,1H3,(H,12,13);1-4,9-10H;5H,2-4H2,1H3;2H,1H2;2-3H,1H3;/b;;;;;;;;;;3-2+;.
What are the key properties of 2-amino-4-chloro-3-fluoro-5-methylbenzoic acid;tert-butyl 4-(7-chloro-8-fluoro-6-methylquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;4,7-dichloro-8-fluoro-6-methylquinazoline;ethanimine;2-ethoxyethanol;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride;thionyl dichloride?
2-amino-4-chloro-3-fluoro-5-methylbenzoic acid;tert-butyl 4-(7-chloro-8-fluoro-6-methylquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;4,7-dichloro-8-fluoro-6-methylquinazoline;ethanimine;2-ethoxyethanol;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride;thionyl dichloride has a molecular weight of 2531.89 g/mol, XLogP of 22.91, 12 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-3-fluoro-5-methylbenzoic acid;tert-butyl 4-(7-chloro-8-fluoro-6-methylquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;4,7-dichloro-8-fluoro-6-methylquinazoline;ethanimine;2-ethoxyethanol;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride;thionyl dichloride is sourced from PubChem (CID 159112858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).