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

C100H106BCl7F8N18O12S — CID 159671056

About 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

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 (PubChem CID 159671056) has the molecular formula C100H106BCl7F8N18O12S and a molecular weight of 2195.10 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159671056
• Molecular Formula: C100H106BCl7F8N18O12S
• Molecular Weight: 2195.10 g/mol
• Exact Mass: 2190.57
• IUPAC Name: 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
• SMILES: C=CC(=O)Cl.C=CC(=O)N1CCN(c2ncnc3c(F)c(-c4ccccc4F)c(C)cc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.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
• InChI: InChI=1S/C24H26F2N4O2.C22H20F2N4O.C18H22ClFN4O2.C9H5Cl2FN2.C9H6ClFN2O.C9H18N2O2.C6H6BFO2.C3H3ClO.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;8-6-4-2-1-3-5(6)7(9)10;1-2-3(4)5;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;1-4,9-10H;2H,1H2
• InChIKey: MTZSKGDFABYRLL-UHFFFAOYSA-N
• XLogP: 20.17
• TPSA: 354.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 8
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2195.10
LogP ≤ 5	20.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C=CC(=O)Cl.C=CC(=O)N1CCN(c2ncnc3c(F)c(-c4ccccc4F)c(C)cc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.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.

What is the InChIKey of 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?

The InChIKey is MTZSKGDFABYRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O2.C22H20F2N4O.C18H22ClFN4O2.C9H5Cl2FN2.C9H6ClFN2O.C9H18N2O2.C6H6BFO2.C3H3ClO.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;8-6-4-2-1-3-5(6)7(9)10;1-2-3(4)5;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;1-4,9-10H;2H,1H2;.

What are the key properties of 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?

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 has a molecular weight of 2195.10 g/mol, XLogP of 20.17, 8 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159671056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).