N-[1-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)ethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide

C25H24FN3O3 — CID 23763104

IUPACN-[1-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)ethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide
SMILESCCn1c(C(C)N(Cc2ccco2)C(=O)c2ccc(F)cc2)nc2ccc(C)cc2c1=O
InChIInChI=1S/C25H24FN3O3/c1-4-28-23(27-22-12-7-16(2)14-21(22)25(28)31)17(3)29(15-20-6-5-13-32-20)24(30)18-8-10-19(26)11-9-18/h5-14,17H,4,15H2,1-3H3
InChIKeyZVBCKFJBBBOSGZ-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.86
Rot. Bonds6

About N-[1-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)ethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide

N-[1-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)ethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide (PubChem CID 23763104) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is N-[1-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)ethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)ethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide
PubChem CID23763104
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC NameN-[1-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)ethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide
SMILESCCn1c(C(C)N(Cc2ccco2)C(=O)c2ccc(F)cc2)nc2ccc(C)cc2c1=O
InChIInChI=1S/C25H24FN3O3/c1-4-28-23(27-22-12-7-16(2)14-21(22)25(28)31)17(3)29(15-20-6-5-13-32-20)24(30)18-8-10-19(26)11-9-18/h5-14,17H,4,15H2,1-3H3
InChIKeyZVBCKFJBBBOSGZ-UHFFFAOYSA-N
XLogP4.86
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[1-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)ethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide 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

4-bromo-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 3594369
4-bromo-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42713352
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzamide
CID 42711673
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-fluoro-N-propylbenzamide
CID 42720516
N-(furan-2-ylmethyl)-4-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-nitrobenzamide
CID 42718118
4-bromo-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42722364
3-bromo-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 4570757
4-bromo-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)benzamide
CID 4014746
1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(furan-2-ylmethyl)urea
CID 42711213
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 4012588
3,4-dichloro-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 4312469
N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide
CID 42720133

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)ethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of N-[1-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)ethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide (CID 23763104) is N-[1-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)ethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for N-[1-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)ethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for N-[1-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)ethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide is CCn1c(C(C)N(Cc2ccco2)C(=O)c2ccc(F)cc2)nc2ccc(C)cc2c1=O.
What is the InChIKey of N-[1-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)ethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide?
The InChIKey is ZVBCKFJBBBOSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/c1-4-28-23(27-22-12-7-16(2)14-21(22)25(28)31)17(3)29(15-20-6-5-13-32-20)24(30)18-8-10-19(26)11-9-18/h5-14,17H,4,15H2,1-3H3.
What are the key properties of N-[1-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)ethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide?
N-[1-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)ethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide has a molecular weight of 433.48 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)ethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 23763104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).