2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-[1-[2-(1-fluorocyclopropyl)-6-[methyl(propyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol

C82H98F6N12O5 — CID 160705199

About 2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-[1-[2-(1-fluorocyclopropyl)-6-[methyl(propyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol

2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-[1-[2-(1-fluorocyclopropyl)-6-[methyl(propyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol (PubChem CID 160705199) has the molecular formula C82H98F6N12O5 and a molecular weight of 1445.75 g/mol. Its IUPAC name is 2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-[1-[2-(1-fluorocyclopropyl)-6-[methyl(propyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol.

Molecular Properties

• Compound Name: 2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-[1-[2-(1-fluorocyclopropyl)-6-[methyl(propyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol
• PubChem CID: 160705199
• Molecular Formula: C82H98F6N12O5
• Molecular Weight: 1445.75 g/mol
• Exact Mass: 1444.77
• IUPAC Name: 2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-[1-[2-(1-fluorocyclopropyl)-6-[methyl(propyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol
• SMILES: CCCN(C)c1ccc2nc(C3(F)CC3)nc(N3CCC(c4ccccc4O)CC3)c2c1.CN(CCO)c1ccc2nc(C3(F)CC3)nc(N3CCC(c4ccccc4OCCF)CC3)c2c1.CN(CCOCCF)c1ccc2nc(C3(F)CC3)nc(N3CCC(c4ccccc4OCCF)CC3)c2c1
• InChI: InChI=1S/C29H35F3N4O2.C27H32F2N4O2.C26H31FN4O/c1-35(16-19-37-17-12-30)22-6-7-25-24(20-22)27(34-28(33-25)29(32)10-11-29)36-14-8-21(9-15-36)23-4-2-3-5-26(23)38-18-13-31;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;1-3-14-30(2)19-8-9-22-21(17-19)24(29-25(28-22)26(27)12-13-26)31-15-10-18(11-16-31)20-6-4-5-7-23(20)32/h2-7,20-21H,8-19H2,1H3;2-7,18-19,34H,8-17H2,1H3;4-9,17-18,32H,3,10-16H2,1-2H3
• InChIKey: RRDCKPXTIKLVKK-UHFFFAOYSA-N
• XLogP: 16.02
• TPSA: 164.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 27
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1445.75
LogP ≤ 5	16.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-[1-[2-(1-fluorocyclopropyl)-6-[methyl(propyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol?

The IUPAC name of 2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-[1-[2-(1-fluorocyclopropyl)-6-[methyl(propyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol (CID 160705199) is 2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-[1-[2-(1-fluorocyclopropyl)-6-[methyl(propyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol.

What is the SMILES notation for 2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-[1-[2-(1-fluorocyclopropyl)-6-[methyl(propyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol?

The canonical SMILES for 2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-[1-[2-(1-fluorocyclopropyl)-6-[methyl(propyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol is CCCN(C)c1ccc2nc(C3(F)CC3)nc(N3CCC(c4ccccc4O)CC3)c2c1.CN(CCO)c1ccc2nc(C3(F)CC3)nc(N3CCC(c4ccccc4OCCF)CC3)c2c1.CN(CCOCCF)c1ccc2nc(C3(F)CC3)nc(N3CCC(c4ccccc4OCCF)CC3)c2c1.

What is the InChIKey of 2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-[1-[2-(1-fluorocyclopropyl)-6-[methyl(propyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol?

The InChIKey is RRDCKPXTIKLVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35F3N4O2.C27H32F2N4O2.C26H31FN4O/c1-35(16-19-37-17-12-30)22-6-7-25-24(20-22)27(34-28(33-25)29(32)10-11-29)36-14-8-21(9-15-36)23-4-2-3-5-26(23)38-18-13-31;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;1-3-14-30(2)19-8-9-22-21(17-19)24(29-25(28-22)26(27)12-13-26)31-15-10-18(11-16-31)20-6-4-5-7-23(20)32/h2-7,20-21H,8-19H2,1H3;2-7,18-19,34H,8-17H2,1H3;4-9,17-18,32H,3,10-16H2,1-2H3.

What are the key properties of 2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-[1-[2-(1-fluorocyclopropyl)-6-[methyl(propyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol?

2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-[1-[2-(1-fluorocyclopropyl)-6-[methyl(propyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol has a molecular weight of 1445.75 g/mol, XLogP of 16.02, 27 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-[[2-(1-fluorocyclopropyl)-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;2-[1-[2-(1-fluorocyclopropyl)-6-[methyl(propyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol is sourced from PubChem (CID 160705199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).