2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-fluoroethyl trifluoromethanesulfonate

C57H69F7N8O7S — CID 158783998

IUPAC2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-fluoroethyl trifluoromethanesulfonate
SMILESCOc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCO)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCOCCF)cc23)CC1.O=S(=O)(OCCF)C(F)(F)F
InChIInChI=1S/C28H34F2N4O2.C26H31FN4O2.C3H4F4O3S/c1-33(16-18-36-17-13-29)21-7-8-24-23(19-21)26(32-27(31-24)28(30)11-12-28)34-14-9-20(10-15-34)22-5-3-4-6-25(22)35-2;1-30(15-16-32)19-7-8-22-21(17-19)24(29-25(28-22)26(27)11-12-26)31-13-9-18(10-14-31)20-5-3-4-6-23(20)33-2;4-1-2-10-11(8,9)3(5,6)7/h3-8,19-20H,9-18H2,1-2H3;3-8,17-18,32H,9-16H2,1-2H3;1-2H2
InChIKeyIRLFGXPRFHQSOC-UHFFFAOYSA-N
MW1143.28 g/mol
LogP10.63
Rot. Bonds20

About 2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-fluoroethyl trifluoromethanesulfonate

2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-fluoroethyl trifluoromethanesulfonate (PubChem CID 158783998) has the molecular formula C57H69F7N8O7S and a molecular weight of 1143.28 g/mol. Its IUPAC name is 2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-fluoroethyl trifluoromethanesulfonate.

Molecular Properties

Compound Name2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-fluoroethyl trifluoromethanesulfonate
PubChem CID158783998
Molecular FormulaC57H69F7N8O7S
Molecular Weight1143.28 g/mol
Exact Mass1142.49
IUPAC Name2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-fluoroethyl trifluoromethanesulfonate
SMILESCOc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCO)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCOCCF)cc23)CC1.O=S(=O)(OCCF)C(F)(F)F
InChIInChI=1S/C28H34F2N4O2.C26H31FN4O2.C3H4F4O3S/c1-33(16-18-36-17-13-29)21-7-8-24-23(19-21)26(32-27(31-24)28(30)11-12-28)34-14-9-20(10-15-34)22-5-3-4-6-25(22)35-2;1-30(15-16-32)19-7-8-22-21(17-19)24(29-25(28-22)26(27)11-12-26)31-13-9-18(10-14-31)20-5-3-4-6-23(20)33-2;4-1-2-10-11(8,9)3(5,6)7/h3-8,19-20H,9-18H2,1-2H3;3-8,17-18,32H,9-16H2,1-2H3;1-2H2
InChIKeyIRLFGXPRFHQSOC-UHFFFAOYSA-N
XLogP10.63
TPSA155.81 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001143.28
LogP ≤ 510.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-fluoroethyl trifluoromethanesulfonate with MolForge

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Related Compounds

2-((2-(1-Fluorocyclopropyl)-4-(4-(2-methoxyphenyl)piperidin-1-yl)quinazolin-6-yl)(methyl)amino)ethan-1-ol
CID 118610427
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine
CID 90237274
2-[[2-Cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 90237403
US10118902, Example 174
CID 118610260
US10118902, Example 18
CID 118610314
US10118902, Example 125
CID 118610338
US10118902, Example 47
CID 118610411
US10118902, Example 59
CID 118610423
US10118902, Example 133
CID 118610426
US10118902, Example 132
CID 118617599
US10118902, Example 117
CID 118617645
US10118902, Example 175
CID 118617787

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-fluoroethyl trifluoromethanesulfonate?
The IUPAC name of 2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-fluoroethyl trifluoromethanesulfonate (CID 158783998) is 2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-fluoroethyl trifluoromethanesulfonate.
What is the SMILES notation for 2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-fluoroethyl trifluoromethanesulfonate?
The canonical SMILES for 2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-fluoroethyl trifluoromethanesulfonate is COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCO)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCOCCF)cc23)CC1.O=S(=O)(OCCF)C(F)(F)F.
What is the InChIKey of 2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-fluoroethyl trifluoromethanesulfonate?
The InChIKey is IRLFGXPRFHQSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F2N4O2.C26H31FN4O2.C3H4F4O3S/c1-33(16-18-36-17-13-29)21-7-8-24-23(19-21)26(32-27(31-24)28(30)11-12-28)34-14-9-20(10-15-34)22-5-3-4-6-25(22)35-2;1-30(15-16-32)19-7-8-22-21(17-19)24(29-25(28-22)26(27)11-12-26)31-13-9-18(10-14-31)20-5-3-4-6-23(20)33-2;4-1-2-10-11(8,9)3(5,6)7/h3-8,19-20H,9-18H2,1-2H3;3-8,17-18,32H,9-16H2,1-2H3;1-2H2.
What are the key properties of 2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-fluoroethyl trifluoromethanesulfonate?
2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-fluoroethyl trifluoromethanesulfonate has a molecular weight of 1143.28 g/mol, XLogP of 10.63, 20 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-fluoroethyl trifluoromethanesulfonate is sourced from PubChem (CID 158783998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).