3-[[1-[(2,5-dimethoxyphenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one

C23H27N3O4 — CID 92594591

IUPAC3-[[1-[(2,5-dimethoxyphenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
SMILESCOc1ccc(OC)c(CN2CCC(O)(Cn3cnc4ccccc4c3=O)CC2)c1
InChIInChI=1S/C23H27N3O4/c1-29-18-7-8-21(30-2)17(13-18)14-25-11-9-23(28,10-12-25)15-26-16-24-20-6-4-3-5-19(20)22(26)27/h3-8,13,16,28H,9-12,14-15H2,1-2H3
InChIKeyYETKWZMVGZSVDM-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.44
Rot. Bonds6

About 3-[[1-[(2,5-dimethoxyphenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one

3-[[1-[(2,5-dimethoxyphenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one (PubChem CID 92594591) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 3-[[1-[(2,5-dimethoxyphenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[[1-[(2,5-dimethoxyphenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
PubChem CID92594591
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name3-[[1-[(2,5-dimethoxyphenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
SMILESCOc1ccc(OC)c(CN2CCC(O)(Cn3cnc4ccccc4c3=O)CC2)c1
InChIInChI=1S/C23H27N3O4/c1-29-18-7-8-21(30-2)17(13-18)14-25-11-9-23(28,10-12-25)15-26-16-24-20-6-4-3-5-19(20)22(26)27/h3-8,13,16,28H,9-12,14-15H2,1-2H3
InChIKeyYETKWZMVGZSVDM-UHFFFAOYSA-N
XLogP2.44
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[1-[(2,5-dimethoxyphenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one with MolForge

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Related Compounds

2-methoxyethyl 2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetate
CID 46955302
3-[[4-hydroxy-1-(2-methyl-3-phenylpropyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 122420674
3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
CID 110221520
2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 92582048
tert-butyl 4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidine-1-carboxylate
CID 71278911
N-cyclopentyl-2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetamide
CID 46966128
1-[(2,5-dimethoxyphenyl)methyl]benzimidazole
CID 139217669
5-[[1-(2,5-dimethoxybenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 121436830
N-(2,5-dimethoxyphenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 3237928
3-[(3-bromo-4-methoxyphenyl)methyl]quinazolin-4-one
CID 9138174
3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]quinazolin-4-one
CID 110885190
[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 3-(4-oxoquinazolin-3-yl)propanoate
CID 46661338

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(2,5-dimethoxyphenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one?
The IUPAC name of 3-[[1-[(2,5-dimethoxyphenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one (CID 92594591) is 3-[[1-[(2,5-dimethoxyphenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-[[1-[(2,5-dimethoxyphenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one?
The canonical SMILES for 3-[[1-[(2,5-dimethoxyphenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one is COc1ccc(OC)c(CN2CCC(O)(Cn3cnc4ccccc4c3=O)CC2)c1.
What is the InChIKey of 3-[[1-[(2,5-dimethoxyphenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one?
The InChIKey is YETKWZMVGZSVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-29-18-7-8-21(30-2)17(13-18)14-25-11-9-23(28,10-12-25)15-26-16-24-20-6-4-3-5-19(20)22(26)27/h3-8,13,16,28H,9-12,14-15H2,1-2H3.
What are the key properties of 3-[[1-[(2,5-dimethoxyphenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one?
3-[[1-[(2,5-dimethoxyphenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one has a molecular weight of 409.49 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(2,5-dimethoxyphenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 92594591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).