8-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline

C23H26FN3O — CID 25168392

IUPAC8-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline
SMILESCc1cc(C(C)OCC2(c3ccc(F)cc3)CCNCC2)c2ncncc2c1
InChIInChI=1S/C23H26FN3O/c1-16-11-18-13-26-15-27-22(18)21(12-16)17(2)28-14-23(7-9-25-10-8-23)19-3-5-20(24)6-4-19/h3-6,11-13,15,17,25H,7-10,14H2,1-2H3
InChIKeyWGCQNBYMTHBHIC-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.48
Rot. Bonds5

About 8-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline

8-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline (PubChem CID 25168392) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 8-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline.

Molecular Properties

Compound Name8-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline
PubChem CID25168392
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name8-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline
SMILESCc1cc(C(C)OCC2(c3ccc(F)cc3)CCNCC2)c2ncncc2c1
InChIInChI=1S/C23H26FN3O/c1-16-11-18-13-26-15-27-22(18)21(12-16)17(2)28-14-23(7-9-25-10-8-23)19-3-5-20(24)6-4-19/h3-6,11-13,15,17,25H,7-10,14H2,1-2H3
InChIKeyWGCQNBYMTHBHIC-UHFFFAOYSA-N
XLogP4.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline?
The IUPAC name of 8-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline (CID 25168392) is 8-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline.
What is the SMILES notation for 8-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline?
The canonical SMILES for 8-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline is Cc1cc(C(C)OCC2(c3ccc(F)cc3)CCNCC2)c2ncncc2c1.
What is the InChIKey of 8-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline?
The InChIKey is WGCQNBYMTHBHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-16-11-18-13-26-15-27-22(18)21(12-16)17(2)28-14-23(7-9-25-10-8-23)19-3-5-20(24)6-4-19/h3-6,11-13,15,17,25H,7-10,14H2,1-2H3.
What are the key properties of 8-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline?
8-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline has a molecular weight of 379.48 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline is sourced from PubChem (CID 25168392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).