N-(3-ethyl-2-oxoquinazolin-4-yl)-4-fluorobenzamide

C17H14FN3O2 — CID 3604536

IUPACN-(3-ethyl-2-oxoquinazolin-4-yl)-4-fluorobenzamide
SMILESCCn1c(NC(=O)c2ccc(F)cc2)c2ccccc2nc1=O
InChIInChI=1S/C17H14FN3O2/c1-2-21-15(13-5-3-4-6-14(13)19-17(21)23)20-16(22)11-7-9-12(18)10-8-11/h3-10H,2H2,1H3,(H,20,22)
InChIKeyGNDAIDWQWRJDQB-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.81
Rot. Bonds3

About N-(3-ethyl-2-oxoquinazolin-4-yl)-4-fluorobenzamide

N-(3-ethyl-2-oxoquinazolin-4-yl)-4-fluorobenzamide (PubChem CID 3604536) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is N-(3-ethyl-2-oxoquinazolin-4-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(3-ethyl-2-oxoquinazolin-4-yl)-4-fluorobenzamide
PubChem CID3604536
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC NameN-(3-ethyl-2-oxoquinazolin-4-yl)-4-fluorobenzamide
SMILESCCn1c(NC(=O)c2ccc(F)cc2)c2ccccc2nc1=O
InChIInChI=1S/C17H14FN3O2/c1-2-21-15(13-5-3-4-6-14(13)19-17(21)23)20-16(22)11-7-9-12(18)10-8-11/h3-10H,2H2,1H3,(H,20,22)
InChIKeyGNDAIDWQWRJDQB-UHFFFAOYSA-N
XLogP2.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-oxoquinazolin-4-yl)-4-fluorobenzamide?
The IUPAC name of N-(3-ethyl-2-oxoquinazolin-4-yl)-4-fluorobenzamide (CID 3604536) is N-(3-ethyl-2-oxoquinazolin-4-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(3-ethyl-2-oxoquinazolin-4-yl)-4-fluorobenzamide?
The canonical SMILES for N-(3-ethyl-2-oxoquinazolin-4-yl)-4-fluorobenzamide is CCn1c(NC(=O)c2ccc(F)cc2)c2ccccc2nc1=O.
What is the InChIKey of N-(3-ethyl-2-oxoquinazolin-4-yl)-4-fluorobenzamide?
The InChIKey is GNDAIDWQWRJDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-2-21-15(13-5-3-4-6-14(13)19-17(21)23)20-16(22)11-7-9-12(18)10-8-11/h3-10H,2H2,1H3,(H,20,22).
What are the key properties of N-(3-ethyl-2-oxoquinazolin-4-yl)-4-fluorobenzamide?
N-(3-ethyl-2-oxoquinazolin-4-yl)-4-fluorobenzamide has a molecular weight of 311.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-oxoquinazolin-4-yl)-4-fluorobenzamide is sourced from PubChem (CID 3604536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).