3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

C24H24F3N3O3 — CID 43062896

IUPAC3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCN1C(=O)c2ccccc2N2C(=O)CCC12C
InChIInChI=1S/C24H24F3N3O3/c1-23-13-11-21(32)30(23)19-6-4-3-5-18(19)22(33)29(23)14-12-20(31)28(2)15-16-7-9-17(10-8-16)24(25,26)27/h3-10H,11-15H2,1-2H3
InChIKeyIYYLEEDLJDBAFU-UHFFFAOYSA-N
MW459.47 g/mol
LogP4.05
Rot. Bonds5

About 3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 43062896) has the molecular formula C24H24F3N3O3 and a molecular weight of 459.47 g/mol. Its IUPAC name is 3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID43062896
Molecular FormulaC24H24F3N3O3
Molecular Weight459.47 g/mol
Exact Mass459.18
IUPAC Name3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCN1C(=O)c2ccccc2N2C(=O)CCC12C
InChIInChI=1S/C24H24F3N3O3/c1-23-13-11-21(32)30(23)19-6-4-3-5-18(19)22(33)29(23)14-12-20(31)28(2)15-16-7-9-17(10-8-16)24(25,26)27/h3-10H,11-15H2,1-2H3
InChIKeyIYYLEEDLJDBAFU-UHFFFAOYSA-N
XLogP4.05
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]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

Related Compounds

3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-benzyl-N-butan-2-ylpropanamide
CID 46597312
3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]propanamide
CID 42887466
3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 46438356
3-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
CID 52658928
4-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 52638177
2-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]acetic acid
CID 28819151
3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(3-chloro-2-fluorophenyl)propanamide
CID 46597208
3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]propanamide
CID 55597019
3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(cyclohex-3-en-1-ylmethyl)propanamide
CID 48874765
3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-phenylbutyl)propanamide
CID 46438669
3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(3,4-diethoxyphenyl)propanamide
CID 46438756
N'-[4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)butanoyl]-2-fluorobenzohydrazide
CID 55604819

Frequently Asked Questions

What is the IUPAC name of 3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (CID 43062896) is 3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCN1C(=O)c2ccccc2N2C(=O)CCC12C.
What is the InChIKey of 3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is IYYLEEDLJDBAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O3/c1-23-13-11-21(32)30(23)19-6-4-3-5-18(19)22(33)29(23)14-12-20(31)28(2)15-16-7-9-17(10-8-16)24(25,26)27/h3-10H,11-15H2,1-2H3.
What are the key properties of 3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 459.47 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 43062896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).