3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one

C22H24FN3O2 — CID 154582915

IUPAC3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
SMILESCOc1ccc2c(=O)n(CC3CCN(Cc4ccc(F)cc4)CC3)cnc2c1
InChIInChI=1S/C22H24FN3O2/c1-28-19-6-7-20-21(12-19)24-15-26(22(20)27)14-17-8-10-25(11-9-17)13-16-2-4-18(23)5-3-16/h2-7,12,15,17H,8-11,13-14H2,1H3
InChIKeyGGCPYUIJZNUBFR-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.46
Rot. Bonds5

About 3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one

3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one (PubChem CID 154582915) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one.

Molecular Properties

Compound Name3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
PubChem CID154582915
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
SMILESCOc1ccc2c(=O)n(CC3CCN(Cc4ccc(F)cc4)CC3)cnc2c1
InChIInChI=1S/C22H24FN3O2/c1-28-19-6-7-20-21(12-19)24-15-26(22(20)27)14-17-8-10-25(11-9-17)13-16-2-4-18(23)5-3-16/h2-7,12,15,17H,8-11,13-14H2,1H3
InChIKeyGGCPYUIJZNUBFR-UHFFFAOYSA-N
XLogP3.46
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one?
The IUPAC name of 3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one (CID 154582915) is 3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one.
What is the SMILES notation for 3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one?
The canonical SMILES for 3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one is COc1ccc2c(=O)n(CC3CCN(Cc4ccc(F)cc4)CC3)cnc2c1.
What is the InChIKey of 3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one?
The InChIKey is GGCPYUIJZNUBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-28-19-6-7-20-21(12-19)24-15-26(22(20)27)14-17-8-10-25(11-9-17)13-16-2-4-18(23)5-3-16/h2-7,12,15,17H,8-11,13-14H2,1H3.
What are the key properties of 3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one?
3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one has a molecular weight of 381.45 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one is sourced from PubChem (CID 154582915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).