2-(4-oxoquinazolin-3-yl)ethyl 2-fluorobenzoate

C17H13FN2O3 — CID 30337827

IUPAC2-(4-oxoquinazolin-3-yl)ethyl 2-fluorobenzoate
SMILESO=C(OCCn1cnc2ccccc2c1=O)c1ccccc1F
InChIInChI=1S/C17H13FN2O3/c18-14-7-3-1-5-12(14)17(22)23-10-9-20-11-19-15-8-4-2-6-13(15)16(20)21/h1-8,11H,9-10H2
InChIKeyRCZJFBICDHGTGO-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.39
Rot. Bonds4

About 2-(4-oxoquinazolin-3-yl)ethyl 2-fluorobenzoate

2-(4-oxoquinazolin-3-yl)ethyl 2-fluorobenzoate (PubChem CID 30337827) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-(4-oxoquinazolin-3-yl)ethyl 2-fluorobenzoate.

Molecular Properties

Compound Name2-(4-oxoquinazolin-3-yl)ethyl 2-fluorobenzoate
PubChem CID30337827
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Name2-(4-oxoquinazolin-3-yl)ethyl 2-fluorobenzoate
SMILESO=C(OCCn1cnc2ccccc2c1=O)c1ccccc1F
InChIInChI=1S/C17H13FN2O3/c18-14-7-3-1-5-12(14)17(22)23-10-9-20-11-19-15-8-4-2-6-13(15)16(20)21/h1-8,11H,9-10H2
InChIKeyRCZJFBICDHGTGO-UHFFFAOYSA-N
XLogP2.39
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-oxoquinazolin-3-yl)propyl 4-chlorobenzoate
CID 30338391
3-(4-aminobutyl)quinazolin-4-one
CID 28823941
3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one
CID 39805269
2-fluoro-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide
CID 4827693
2-(4-oxoquinazolin-3-yl)ethyl 4-methylpentanoate
CID 30338221
3-(5-aminopentyl)quinazolin-4-one
CID 54965918
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 75489122
3-(4-oxoquinazolin-3-yl)propyl naphthalene-2-carboxylate
CID 30338758
3-propylquinazolin-4-one
CID 529124
N-[(2-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51271973
methyl 4-[2-[2-(4-oxoquinazolin-3-yl)ethoxy]ethoxy]benzoate
CID 2216531

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinazolin-3-yl)ethyl 2-fluorobenzoate?
The IUPAC name of 2-(4-oxoquinazolin-3-yl)ethyl 2-fluorobenzoate (CID 30337827) is 2-(4-oxoquinazolin-3-yl)ethyl 2-fluorobenzoate.
What is the SMILES notation for 2-(4-oxoquinazolin-3-yl)ethyl 2-fluorobenzoate?
The canonical SMILES for 2-(4-oxoquinazolin-3-yl)ethyl 2-fluorobenzoate is O=C(OCCn1cnc2ccccc2c1=O)c1ccccc1F.
What is the InChIKey of 2-(4-oxoquinazolin-3-yl)ethyl 2-fluorobenzoate?
The InChIKey is RCZJFBICDHGTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c18-14-7-3-1-5-12(14)17(22)23-10-9-20-11-19-15-8-4-2-6-13(15)16(20)21/h1-8,11H,9-10H2.
What are the key properties of 2-(4-oxoquinazolin-3-yl)ethyl 2-fluorobenzoate?
2-(4-oxoquinazolin-3-yl)ethyl 2-fluorobenzoate has a molecular weight of 312.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinazolin-3-yl)ethyl 2-fluorobenzoate is sourced from PubChem (CID 30337827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).