N-ethyl-3-fluoro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide

C25H22FN3O2 — CID 42715400

IUPACN-ethyl-3-fluoro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide
SMILESCCN(C(=O)c1cccc(F)c1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C25H22FN3O2/c1-3-28(24(30)18-10-9-11-19(26)16-18)17(2)23-27-22-15-8-7-14-21(22)25(31)29(23)20-12-5-4-6-13-20/h4-17H,3H2,1-2H3
InChIKeyLUMCSGLHDMYLGX-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.75
Rot. Bonds5

About N-ethyl-3-fluoro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide

N-ethyl-3-fluoro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide (PubChem CID 42715400) has the molecular formula C25H22FN3O2 and a molecular weight of 415.47 g/mol. Its IUPAC name is N-ethyl-3-fluoro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-ethyl-3-fluoro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide
PubChem CID42715400
Molecular FormulaC25H22FN3O2
Molecular Weight415.47 g/mol
Exact Mass415.17
IUPAC NameN-ethyl-3-fluoro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide
SMILESCCN(C(=O)c1cccc(F)c1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C25H22FN3O2/c1-3-28(24(30)18-10-9-11-19(26)16-18)17(2)23-27-22-15-8-7-14-21(22)25(31)29(23)20-12-5-4-6-13-20/h4-17H,3H2,1-2H3
InChIKeyLUMCSGLHDMYLGX-UHFFFAOYSA-N
XLogP4.75
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-fluoro-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42722955
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethyl-3-fluorobenzamide
CID 42722451
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-fluoro-N-(3-methylbutyl)benzamide
CID 3380806
N-ethyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]propanamide
CID 42715387
3-fluoro-N-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42717578
3-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)benzamide
CID 4312215
N-ethyl-3-methoxy-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42718230
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]-4-fluoro-N-(2-methylpropyl)benzamide
CID 42715967
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbenzamide
CID 42718076
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-butylbenzamide
CID 42715950
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 42718827
N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42723568

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide?
The IUPAC name of N-ethyl-3-fluoro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide (CID 42715400) is N-ethyl-3-fluoro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide.
What is the SMILES notation for N-ethyl-3-fluoro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide?
The canonical SMILES for N-ethyl-3-fluoro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide is CCN(C(=O)c1cccc(F)c1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of N-ethyl-3-fluoro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide?
The InChIKey is LUMCSGLHDMYLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O2/c1-3-28(24(30)18-10-9-11-19(26)16-18)17(2)23-27-22-15-8-7-14-21(22)25(31)29(23)20-12-5-4-6-13-20/h4-17H,3H2,1-2H3.
What are the key properties of N-ethyl-3-fluoro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide?
N-ethyl-3-fluoro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide has a molecular weight of 415.47 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide is sourced from PubChem (CID 42715400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).