2-ethyl-3-[[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one

C23H26FN3O2 — CID 92589264

IUPAC2-ethyl-3-[[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
SMILESCCc1nc2ccccc2c(=O)n1CC1(O)CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C23H26FN3O2/c1-2-21-25-20-6-4-3-5-19(20)22(28)27(21)16-23(29)11-13-26(14-12-23)15-17-7-9-18(24)10-8-17/h3-10,29H,2,11-16H2,1H3
InChIKeyVLIPBCOOTPYXLZ-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.13
Rot. Bonds5

About 2-ethyl-3-[[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one

2-ethyl-3-[[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one (PubChem CID 92589264) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-ethyl-3-[[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name2-ethyl-3-[[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
PubChem CID92589264
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name2-ethyl-3-[[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
SMILESCCc1nc2ccccc2c(=O)n1CC1(O)CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C23H26FN3O2/c1-2-21-25-20-6-4-3-5-19(20)22(28)27(21)16-23(29)11-13-26(14-12-23)15-17-7-9-18(24)10-8-17/h3-10,29H,2,11-16H2,1H3
InChIKeyVLIPBCOOTPYXLZ-UHFFFAOYSA-N
XLogP3.13
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-3-[[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-3-[[4-hydroxy-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methyl]quinazolin-4-one
CID 92589259
3-[[1-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-2-ethylquinazolin-4-one
CID 92589253
2-ethyl-3-[[4-hydroxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 110221557
2-ethylsulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one
CID 2086040
2-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 45030837
1-(2-ethyl-4-oxoquinazolin-3-yl)-3-[(4-fluorophenyl)methyl]urea
CID 70838560
6-amino-2-ethyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one
CID 1456539
3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one
CID 92589760
(2R)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2618889
2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1-phenylethanone;hydrochloride
CID 67119848
ethyl 2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetate
CID 2618905
2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one
CID 2487613

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one?
The IUPAC name of 2-ethyl-3-[[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one (CID 92589264) is 2-ethyl-3-[[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 2-ethyl-3-[[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one?
The canonical SMILES for 2-ethyl-3-[[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one is CCc1nc2ccccc2c(=O)n1CC1(O)CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2-ethyl-3-[[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one?
The InChIKey is VLIPBCOOTPYXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-2-21-25-20-6-4-3-5-19(20)22(28)27(21)16-23(29)11-13-26(14-12-23)15-17-7-9-18(24)10-8-17/h3-10,29H,2,11-16H2,1H3.
What are the key properties of 2-ethyl-3-[[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one?
2-ethyl-3-[[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one has a molecular weight of 395.48 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 92589264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).