8-[2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline

C23H26FN3O — CID 68842786

IUPAC8-[2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline
SMILESCc1cc(CCOCC2(c3ccc(F)cc3)CCNCC2)c2ncncc2c1
InChIInChI=1S/C23H26FN3O/c1-17-12-18(22-19(13-17)14-26-16-27-22)6-11-28-15-23(7-9-25-10-8-23)20-2-4-21(24)5-3-20/h2-5,12-14,16,25H,6-11,15H2,1H3
InChIKeyOCEMOYSVDNKQMD-UHFFFAOYSA-N
MW379.48 g/mol
LogP3.96
Rot. Bonds6

About 8-[2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline

8-[2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline (PubChem CID 68842786) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 8-[2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline.

Molecular Properties

Compound Name8-[2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline
PubChem CID68842786
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name8-[2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline
SMILESCc1cc(CCOCC2(c3ccc(F)cc3)CCNCC2)c2ncncc2c1
InChIInChI=1S/C23H26FN3O/c1-17-12-18(22-19(13-17)14-26-16-27-22)6-11-28-15-23(7-9-25-10-8-23)20-2-4-21(24)5-3-20/h2-5,12-14,16,25H,6-11,15H2,1H3
InChIKeyOCEMOYSVDNKQMD-UHFFFAOYSA-N
XLogP3.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline?
The IUPAC name of 8-[2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline (CID 68842786) is 8-[2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline.
What is the SMILES notation for 8-[2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline?
The canonical SMILES for 8-[2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline is Cc1cc(CCOCC2(c3ccc(F)cc3)CCNCC2)c2ncncc2c1.
What is the InChIKey of 8-[2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline?
The InChIKey is OCEMOYSVDNKQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-17-12-18(22-19(13-17)14-26-16-27-22)6-11-28-15-23(7-9-25-10-8-23)20-2-4-21(24)5-3-20/h2-5,12-14,16,25H,6-11,15H2,1H3.
What are the key properties of 8-[2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline?
8-[2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline has a molecular weight of 379.48 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline is sourced from PubChem (CID 68842786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).