2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-fluoroethyl trifluoromethanesulfonate;hydrochloride

C85H104ClF9N12O7S — CID 158777532

IUPAC2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-fluoroethyl trifluoromethanesulfonate;hydrochloride
SMILESCCCN(C)c1ccc2nc(C3(F)CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.CCCN(C)c1ccc2nc(C3(F)CC3)nc(N3CCC(c4ccccc4OCCF)CC3)c2c1.CN(CCO)c1ccc2nc(C3(F)CC3)nc(N3CCC(c4ccccc4OCCF)CC3)c2c1.Cl.O=S(=O)(OCCF)C(F)(F)F
InChIInChI=1S/C28H34F2N4O.C27H32F2N4O2.C27H33FN4O.C3H4F4O3S.ClH/c1-3-15-33(2)21-8-9-24-23(19-21)26(32-27(31-24)28(30)12-13-28)34-16-10-20(11-17-34)22-6-4-5-7-25(22)35-18-14-29;1-32(15-16-34)20-6-7-23-22(18-20)25(31-26(30-23)27(29)10-11-27)33-13-8-19(9-14-33)21-4-2-3-5-24(21)35-17-12-28;1-4-15-31(2)20-9-10-23-22(18-20)25(30-26(29-23)27(28)13-14-27)32-16-11-19(12-17-32)21-7-5-6-8-24(21)33-3;4-1-2-10-11(8,9)3(5,6)7;/h4-9,19-20H,3,10-18H2,1-2H3;2-7,18-19,34H,8-17H2,1H3;5-10,18-19H,4,11-17H2,1-3H3;1-2H2;1H
InChIKeySEOQGINBFJNICL-UHFFFAOYSA-N
MW1644.35 g/mol
LogP17.99
Rot. Bonds28

About 2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-fluoroethyl trifluoromethanesulfonate;hydrochloride

2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-fluoroethyl trifluoromethanesulfonate;hydrochloride (PubChem CID 158777532) has the molecular formula C85H104ClF9N12O7S and a molecular weight of 1644.35 g/mol. Its IUPAC name is 2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-fluoroethyl trifluoromethanesulfonate;hydrochloride.

Molecular Properties

Compound Name2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-fluoroethyl trifluoromethanesulfonate;hydrochloride
PubChem CID158777532
Molecular FormulaC85H104ClF9N12O7S
Molecular Weight1644.35 g/mol
Exact Mass1642.74
IUPAC Name2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-fluoroethyl trifluoromethanesulfonate;hydrochloride
SMILESCCCN(C)c1ccc2nc(C3(F)CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.CCCN(C)c1ccc2nc(C3(F)CC3)nc(N3CCC(c4ccccc4OCCF)CC3)c2c1.CN(CCO)c1ccc2nc(C3(F)CC3)nc(N3CCC(c4ccccc4OCCF)CC3)c2c1.Cl.O=S(=O)(OCCF)C(F)(F)F
InChIInChI=1S/C28H34F2N4O.C27H32F2N4O2.C27H33FN4O.C3H4F4O3S.ClH/c1-3-15-33(2)21-8-9-24-23(19-21)26(32-27(31-24)28(30)12-13-28)34-16-10-20(11-17-34)22-6-4-5-7-25(22)35-18-14-29;1-32(15-16-34)20-6-7-23-22(18-20)25(31-26(30-23)27(29)10-11-27)33-13-8-19(9-14-33)21-4-2-3-5-24(21)35-17-12-28;1-4-15-31(2)20-9-10-23-22(18-20)25(30-26(29-23)27(28)13-14-27)32-16-11-19(12-17-32)21-7-5-6-8-24(21)33-3;4-1-2-10-11(8,9)3(5,6)7;/h4-9,19-20H,3,10-18H2,1-2H3;2-7,18-19,34H,8-17H2,1H3;5-10,18-19H,4,11-17H2,1-3H3;1-2H2;1H
InChIKeySEOQGINBFJNICL-UHFFFAOYSA-N
XLogP17.99
TPSA188.07 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001644.35
LogP ≤ 517.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-fluoroethyl trifluoromethanesulfonate;hydrochloride?
The IUPAC name of 2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-fluoroethyl trifluoromethanesulfonate;hydrochloride (CID 158777532) is 2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-fluoroethyl trifluoromethanesulfonate;hydrochloride.
What is the SMILES notation for 2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-fluoroethyl trifluoromethanesulfonate;hydrochloride?
The canonical SMILES for 2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-fluoroethyl trifluoromethanesulfonate;hydrochloride is CCCN(C)c1ccc2nc(C3(F)CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.CCCN(C)c1ccc2nc(C3(F)CC3)nc(N3CCC(c4ccccc4OCCF)CC3)c2c1.CN(CCO)c1ccc2nc(C3(F)CC3)nc(N3CCC(c4ccccc4OCCF)CC3)c2c1.Cl.O=S(=O)(OCCF)C(F)(F)F.
What is the InChIKey of 2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-fluoroethyl trifluoromethanesulfonate;hydrochloride?
The InChIKey is SEOQGINBFJNICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F2N4O.C27H32F2N4O2.C27H33FN4O.C3H4F4O3S.ClH/c1-3-15-33(2)21-8-9-24-23(19-21)26(32-27(31-24)28(30)12-13-28)34-16-10-20(11-17-34)22-6-4-5-7-25(22)35-18-14-29;1-32(15-16-34)20-6-7-23-22(18-20)25(31-26(30-23)27(29)10-11-27)33-13-8-19(9-14-33)21-4-2-3-5-24(21)35-17-12-28;1-4-15-31(2)20-9-10-23-22(18-20)25(30-26(29-23)27(28)13-14-27)32-16-11-19(12-17-32)21-7-5-6-8-24(21)33-3;4-1-2-10-11(8,9)3(5,6)7;/h4-9,19-20H,3,10-18H2,1-2H3;2-7,18-19,34H,8-17H2,1H3;5-10,18-19H,4,11-17H2,1-3H3;1-2H2;1H.
What are the key properties of 2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-fluoroethyl trifluoromethanesulfonate;hydrochloride?
2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-fluoroethyl trifluoromethanesulfonate;hydrochloride has a molecular weight of 1644.35 g/mol, XLogP of 17.99, 28 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-fluoroethyl trifluoromethanesulfonate;hydrochloride is sourced from PubChem (CID 158777532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).