fluoro 2-[4-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]benzoate

C23H24FN3O3 — CID 167443757

IUPACfluoro 2-[4-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]benzoate
SMILESCCc1nc2ccccc2c(=O)n1CC1CCN(c2ccccc2C(=O)OF)CC1
InChIInChI=1S/C23H24FN3O3/c1-2-21-25-19-9-5-3-7-17(19)22(28)27(21)15-16-11-13-26(14-12-16)20-10-6-4-8-18(20)23(29)30-24/h3-10,16H,2,11-15H2,1H3
InChIKeyXCPDKOAXFHRXDE-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.92
Rot. Bonds5

About fluoro 2-[4-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]benzoate

fluoro 2-[4-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]benzoate (PubChem CID 167443757) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is fluoro 2-[4-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]benzoate.

Molecular Properties

Compound Namefluoro 2-[4-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]benzoate
PubChem CID167443757
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Namefluoro 2-[4-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]benzoate
SMILESCCc1nc2ccccc2c(=O)n1CC1CCN(c2ccccc2C(=O)OF)CC1
InChIInChI=1S/C23H24FN3O3/c1-2-21-25-19-9-5-3-7-17(19)22(28)27(21)15-16-11-13-26(14-12-16)20-10-6-4-8-18(20)23(29)30-24/h3-10,16H,2,11-15H2,1H3
InChIKeyXCPDKOAXFHRXDE-UHFFFAOYSA-N
XLogP3.92
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of fluoro 2-[4-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]benzoate?
The IUPAC name of fluoro 2-[4-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]benzoate (CID 167443757) is fluoro 2-[4-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]benzoate.
What is the SMILES notation for fluoro 2-[4-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]benzoate?
The canonical SMILES for fluoro 2-[4-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]benzoate is CCc1nc2ccccc2c(=O)n1CC1CCN(c2ccccc2C(=O)OF)CC1.
What is the InChIKey of fluoro 2-[4-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]benzoate?
The InChIKey is XCPDKOAXFHRXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-2-21-25-19-9-5-3-7-17(19)22(28)27(21)15-16-11-13-26(14-12-16)20-10-6-4-8-18(20)23(29)30-24/h3-10,16H,2,11-15H2,1H3.
What are the key properties of fluoro 2-[4-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]benzoate?
fluoro 2-[4-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]benzoate has a molecular weight of 409.46 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-[4-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]benzoate is sourced from PubChem (CID 167443757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).