7-bromo-6-chloro-2-(chloromethyl)-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoroquinazoline;7-bromo-6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazoline;1-[(2R,5S)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;(2S,5S)-2,5-dimethylpiperidine;(3-fluoro-2-pyridinyl)methanol;propan-2-ol

C100H104Br2Cl7F9N16O7 — CID 157485707

About 7-bromo-6-chloro-2-(chloromethyl)-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoroquinazoline;7-bromo-6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazoline;1-[(2R,5S)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;(2S,5S)-2,5-dimethylpiperidine;(3-fluoro-2-pyridinyl)methanol;propan-2-ol

7-bromo-6-chloro-2-(chloromethyl)-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoroquinazoline;7-bromo-6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazoline;1-[(2R,5S)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;(2S,5S)-2,5-dimethylpiperidine;(3-fluoro-2-pyridinyl)methanol;propan-2-ol (PubChem CID 157485707) has the molecular formula C100H104Br2Cl7F9N16O7 and a molecular weight of 2221.00 g/mol. Its IUPAC name is 7-bromo-6-chloro-2-(chloromethyl)-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoroquinazoline;7-bromo-6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazoline;1-[(2R,5S)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;(2S,5S)-2,5-dimethylpiperidine;(3-fluoro-2-pyridinyl)methanol;propan-2-ol.

Molecular Properties

• Compound Name: 7-bromo-6-chloro-2-(chloromethyl)-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoroquinazoline;7-bromo-6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazoline;1-[(2R,5S)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;(2S,5S)-2,5-dimethylpiperidine;(3-fluoro-2-pyridinyl)methanol;propan-2-ol
• PubChem CID: 157485707
• Molecular Formula: C100H104Br2Cl7F9N16O7
• Molecular Weight: 2221.00 g/mol
• Exact Mass: 2214.43
• IUPAC Name: 7-bromo-6-chloro-2-(chloromethyl)-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoroquinazoline;7-bromo-6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazoline;1-[(2R,5S)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;(2S,5S)-2,5-dimethylpiperidine;(3-fluoro-2-pyridinyl)methanol;propan-2-ol
• SMILES: C=CC(=O)N1C[C@H](C)N(c2nc(COCc3ncccc3F)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)C[C@H]1C.CC(C)O.COc1cccc(F)c1-c1c(Cl)cc2c(Cl)nc(CCl)nc2c1F.C[C@H]1CC[C@H](C)N(c2nc(CCl)nc3c(F)c(Br)c(Cl)cc23)C1.C[C@H]1CC[C@H](C)N(c2nc(COCc3ncccc3F)nc3c(F)c(Br)c(Cl)cc23)C1.C[C@H]1CC[C@H](C)NC1.OCc1ncccc1F
• InChI: InChI=1S/C30H27ClF3N5O3.C22H22BrClF2N4O.C16H17BrCl2FN3.C16H9Cl3F2N2O.C7H15N.C6H6FNO.C3H8O/c1-4-25(41)38-12-17(3)39(13-16(38)2)30-18-11-19(31)26(27-21(33)7-5-9-23(27)40)28(34)29(18)36-24(37-30)15-42-14-22-20(32)8-6-10-35-22;1-12-5-6-13(2)30(9-12)22-14-8-15(24)19(23)20(26)21(14)28-18(29-22)11-31-10-17-16(25)4-3-7-27-17;1-8-3-4-9(2)23(7-8)16-10-5-11(19)13(17)14(20)15(10)21-12(6-18)22-16;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;1-6-3-4-7(2)8-5-6;7-5-2-1-3-8-6(5)4-9;1-3(2)4/h4-11,16-17,40H,1,12-15H2,2-3H3;3-4,7-8,12-13H,5-6,9-11H2,1-2H3;5,8-9H,3-4,6-7H2,1-2H3;2-5H,6H2,1H3;6-8H,3-5H2,1-2H3;1-3,9H,4H2;3-4H,1-2H3/t16-,17+;12-,13-;8-,9-;;6-,7-;;/m100.0../s1
• InChIKey: BWRPMNQGXSNZAP-YFEXFIGDSA-N
• XLogP: 25.53
• TPSA: 272.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2221.00
LogP ≤ 5	25.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-chloro-2-(chloromethyl)-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoroquinazoline;7-bromo-6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazoline;1-[(2R,5S)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;(2S,5S)-2,5-dimethylpiperidine;(3-fluoro-2-pyridinyl)methanol;propan-2-ol?

The IUPAC name of 7-bromo-6-chloro-2-(chloromethyl)-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoroquinazoline;7-bromo-6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazoline;1-[(2R,5S)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;(2S,5S)-2,5-dimethylpiperidine;(3-fluoro-2-pyridinyl)methanol;propan-2-ol (CID 157485707) is 7-bromo-6-chloro-2-(chloromethyl)-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoroquinazoline;7-bromo-6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazoline;1-[(2R,5S)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;(2S,5S)-2,5-dimethylpiperidine;(3-fluoro-2-pyridinyl)methanol;propan-2-ol.

What is the SMILES notation for 7-bromo-6-chloro-2-(chloromethyl)-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoroquinazoline;7-bromo-6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazoline;1-[(2R,5S)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;(2S,5S)-2,5-dimethylpiperidine;(3-fluoro-2-pyridinyl)methanol;propan-2-ol?

The canonical SMILES for 7-bromo-6-chloro-2-(chloromethyl)-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoroquinazoline;7-bromo-6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazoline;1-[(2R,5S)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;(2S,5S)-2,5-dimethylpiperidine;(3-fluoro-2-pyridinyl)methanol;propan-2-ol is C=CC(=O)N1C[C@H](C)N(c2nc(COCc3ncccc3F)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)C[C@H]1C.CC(C)O.COc1cccc(F)c1-c1c(Cl)cc2c(Cl)nc(CCl)nc2c1F.C[C@H]1CC[C@H](C)N(c2nc(CCl)nc3c(F)c(Br)c(Cl)cc23)C1.C[C@H]1CC[C@H](C)N(c2nc(COCc3ncccc3F)nc3c(F)c(Br)c(Cl)cc23)C1.C[C@H]1CC[C@H](C)NC1.OCc1ncccc1F.

What is the InChIKey of 7-bromo-6-chloro-2-(chloromethyl)-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoroquinazoline;7-bromo-6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazoline;1-[(2R,5S)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;(2S,5S)-2,5-dimethylpiperidine;(3-fluoro-2-pyridinyl)methanol;propan-2-ol?

The InChIKey is BWRPMNQGXSNZAP-YFEXFIGDSA-N. The full InChI is InChI=1S/C30H27ClF3N5O3.C22H22BrClF2N4O.C16H17BrCl2FN3.C16H9Cl3F2N2O.C7H15N.C6H6FNO.C3H8O/c1-4-25(41)38-12-17(3)39(13-16(38)2)30-18-11-19(31)26(27-21(33)7-5-9-23(27)40)28(34)29(18)36-24(37-30)15-42-14-22-20(32)8-6-10-35-22;1-12-5-6-13(2)30(9-12)22-14-8-15(24)19(23)20(26)21(14)28-18(29-22)11-31-10-17-16(25)4-3-7-27-17;1-8-3-4-9(2)23(7-8)16-10-5-11(19)13(17)14(20)15(10)21-12(6-18)22-16;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;1-6-3-4-7(2)8-5-6;7-5-2-1-3-8-6(5)4-9;1-3(2)4/h4-11,16-17,40H,1,12-15H2,2-3H3;3-4,7-8,12-13H,5-6,9-11H2,1-2H3;5,8-9H,3-4,6-7H2,1-2H3;2-5H,6H2,1H3;6-8H,3-5H2,1-2H3;1-3,9H,4H2;3-4H,1-2H3/t16-,17+;12-,13-;8-,9-;;6-,7-;;/m100.0../s1.

What are the key properties of 7-bromo-6-chloro-2-(chloromethyl)-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoroquinazoline;7-bromo-6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazoline;1-[(2R,5S)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;(2S,5S)-2,5-dimethylpiperidine;(3-fluoro-2-pyridinyl)methanol;propan-2-ol?

7-bromo-6-chloro-2-(chloromethyl)-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoroquinazoline;7-bromo-6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazoline;1-[(2R,5S)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;(2S,5S)-2,5-dimethylpiperidine;(3-fluoro-2-pyridinyl)methanol;propan-2-ol has a molecular weight of 2221.00 g/mol, XLogP of 25.53, 18 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-6-chloro-2-(chloromethyl)-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoroquinazoline;7-bromo-6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazoline;1-[(2R,5S)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;4,6-dichloro-2-(chloromethyl)-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;(2S,5S)-2,5-dimethylpiperidine;(3-fluoro-2-pyridinyl)methanol;propan-2-ol is sourced from PubChem (CID 157485707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).