6-fluoro-4-(4-phenylmethoxypiperidin-1-yl)quinazoline

C20H20FN3O — CID 78901314

IUPAC6-fluoro-4-(4-phenylmethoxypiperidin-1-yl)quinazoline
SMILESFc1ccc2ncnc(N3CCC(OCc4ccccc4)CC3)c2c1
InChIInChI=1S/C20H20FN3O/c21-16-6-7-19-18(12-16)20(23-14-22-19)24-10-8-17(9-11-24)25-13-15-4-2-1-3-5-15/h1-7,12,14,17H,8-11,13H2
InChIKeyFKMSEYBNFQMXGG-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.95
Rot. Bonds4

About 6-fluoro-4-(4-phenylmethoxypiperidin-1-yl)quinazoline

6-fluoro-4-(4-phenylmethoxypiperidin-1-yl)quinazoline (PubChem CID 78901314) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 6-fluoro-4-(4-phenylmethoxypiperidin-1-yl)quinazoline.

Molecular Properties

Compound Name6-fluoro-4-(4-phenylmethoxypiperidin-1-yl)quinazoline
PubChem CID78901314
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name6-fluoro-4-(4-phenylmethoxypiperidin-1-yl)quinazoline
SMILESFc1ccc2ncnc(N3CCC(OCc4ccccc4)CC3)c2c1
InChIInChI=1S/C20H20FN3O/c21-16-6-7-19-18(12-16)20(23-14-22-19)24-10-8-17(9-11-24)25-13-15-4-2-1-3-5-15/h1-7,12,14,17H,8-11,13H2
InChIKeyFKMSEYBNFQMXGG-UHFFFAOYSA-N
XLogP3.95
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(4-phenylmethoxypiperidin-1-yl)quinazoline?
The IUPAC name of 6-fluoro-4-(4-phenylmethoxypiperidin-1-yl)quinazoline (CID 78901314) is 6-fluoro-4-(4-phenylmethoxypiperidin-1-yl)quinazoline.
What is the SMILES notation for 6-fluoro-4-(4-phenylmethoxypiperidin-1-yl)quinazoline?
The canonical SMILES for 6-fluoro-4-(4-phenylmethoxypiperidin-1-yl)quinazoline is Fc1ccc2ncnc(N3CCC(OCc4ccccc4)CC3)c2c1.
What is the InChIKey of 6-fluoro-4-(4-phenylmethoxypiperidin-1-yl)quinazoline?
The InChIKey is FKMSEYBNFQMXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-16-6-7-19-18(12-16)20(23-14-22-19)24-10-8-17(9-11-24)25-13-15-4-2-1-3-5-15/h1-7,12,14,17H,8-11,13H2.
What are the key properties of 6-fluoro-4-(4-phenylmethoxypiperidin-1-yl)quinazoline?
6-fluoro-4-(4-phenylmethoxypiperidin-1-yl)quinazoline has a molecular weight of 337.40 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(4-phenylmethoxypiperidin-1-yl)quinazoline is sourced from PubChem (CID 78901314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).