(2S)-2-[3-(2,3-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide

C26H24FN3O3 — CID 93289048

IUPAC(2S)-2-[3-(2,3-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCc1cccc(-n2c(=O)c3ccccc3n([C@@H](C)C(=O)NCc3ccc(F)cc3)c2=O)c1C
InChIInChI=1S/C26H24FN3O3/c1-16-7-6-10-22(17(16)2)30-25(32)21-8-4-5-9-23(21)29(26(30)33)18(3)24(31)28-15-19-11-13-20(27)14-12-19/h4-14,18H,15H2,1-3H3,(H,28,31)/t18-/m0/s1
InChIKeyFAIINTQZAPLNGZ-SFHVURJKSA-N
MW445.49 g/mol
LogP3.79
Rot. Bonds5

About (2S)-2-[3-(2,3-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide

(2S)-2-[3-(2,3-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 93289048) has the molecular formula C26H24FN3O3 and a molecular weight of 445.49 g/mol. Its IUPAC name is (2S)-2-[3-(2,3-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[3-(2,3-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID93289048
Molecular FormulaC26H24FN3O3
Molecular Weight445.49 g/mol
Exact Mass445.18
IUPAC Name(2S)-2-[3-(2,3-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCc1cccc(-n2c(=O)c3ccccc3n([C@@H](C)C(=O)NCc3ccc(F)cc3)c2=O)c1C
InChIInChI=1S/C26H24FN3O3/c1-16-7-6-10-22(17(16)2)30-25(32)21-8-4-5-9-23(21)29(26(30)33)18(3)24(31)28-15-19-11-13-20(27)14-12-19/h4-14,18H,15H2,1-3H3,(H,28,31)/t18-/m0/s1
InChIKeyFAIINTQZAPLNGZ-SFHVURJKSA-N
XLogP3.79
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[3-(2,3-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(2,3-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of (2S)-2-[3-(2,3-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide (CID 93289048) is (2S)-2-[3-(2,3-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-[3-(2,3-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-[3-(2,3-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide is Cc1cccc(-n2c(=O)c3ccccc3n([C@@H](C)C(=O)NCc3ccc(F)cc3)c2=O)c1C.
What is the InChIKey of (2S)-2-[3-(2,3-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is FAIINTQZAPLNGZ-SFHVURJKSA-N. The full InChI is InChI=1S/C26H24FN3O3/c1-16-7-6-10-22(17(16)2)30-25(32)21-8-4-5-9-23(21)29(26(30)33)18(3)24(31)28-15-19-11-13-20(27)14-12-19/h4-14,18H,15H2,1-3H3,(H,28,31)/t18-/m0/s1.
What are the key properties of (2S)-2-[3-(2,3-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide?
(2S)-2-[3-(2,3-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 445.49 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(2,3-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 93289048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).