3-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one

C24H28FN3O3 — CID 146079219

IUPAC3-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one
SMILESCOc1cc(CN2CCC(Cn3c(C)nc4cc(F)ccc4c3=O)CC2)cc(OC)c1
InChIInChI=1S/C24H28FN3O3/c1-16-26-23-12-19(25)4-5-22(23)24(29)28(16)15-17-6-8-27(9-7-17)14-18-10-20(30-2)13-21(11-18)31-3/h4-5,10-13,17H,6-9,14-15H2,1-3H3
InChIKeyOVMNNGGXHHQEEQ-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.77
Rot. Bonds6

About 3-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one

3-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one (PubChem CID 146079219) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is 3-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one
PubChem CID146079219
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name3-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one
SMILESCOc1cc(CN2CCC(Cn3c(C)nc4cc(F)ccc4c3=O)CC2)cc(OC)c1
InChIInChI=1S/C24H28FN3O3/c1-16-26-23-12-19(25)4-5-22(23)24(29)28(16)15-17-6-8-27(9-7-17)14-18-10-20(30-2)13-21(11-18)31-3/h4-5,10-13,17H,6-9,14-15H2,1-3H3
InChIKeyOVMNNGGXHHQEEQ-UHFFFAOYSA-N
XLogP3.77
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one with MolForge

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Related Compounds

3-[(1-cyclopentylpiperidin-4-yl)methyl]-7-fluoro-2-methylquinazolin-4-one
CID 146078319
3-[[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one
CID 146079047
3-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one
CID 163345012
3-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one
CID 163344964
3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
CID 154582915
N-(1-benzylpiperidin-4-yl)-2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 71709864
3-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylquinazolin-4-one
CID 154575991
1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 119041063
N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide
CID 46159013
6-amino-7-chloro-3-[(4-methoxyphenyl)methyl]-2-methylquinazolin-4-one
CID 43812768
7-fluoro-3-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]quinazolin-4-one
CID 146078879
7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 118722436

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one?
The IUPAC name of 3-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one (CID 146079219) is 3-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one?
The canonical SMILES for 3-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one is COc1cc(CN2CCC(Cn3c(C)nc4cc(F)ccc4c3=O)CC2)cc(OC)c1.
What is the InChIKey of 3-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one?
The InChIKey is OVMNNGGXHHQEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-16-26-23-12-19(25)4-5-22(23)24(29)28(16)15-17-6-8-27(9-7-17)14-18-10-20(30-2)13-21(11-18)31-3/h4-5,10-13,17H,6-9,14-15H2,1-3H3.
What are the key properties of 3-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one?
3-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one has a molecular weight of 425.50 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one is sourced from PubChem (CID 146079219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).