3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]quinazolin-4-one

C19H21N3O2 — CID 4809023

IUPAC3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]quinazolin-4-one
SMILESCc1cc(C(=O)Cn2cnc3ccccc3c2=O)c(C)n1C(C)C
InChIInChI=1S/C19H21N3O2/c1-12(2)22-13(3)9-16(14(22)4)18(23)10-21-11-20-17-8-6-5-7-15(17)19(21)24/h5-9,11-12H,10H2,1-4H3
InChIKeyRWUCWCFRCURAOM-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.28
Rot. Bonds4

About 3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]quinazolin-4-one

3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]quinazolin-4-one (PubChem CID 4809023) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]quinazolin-4-one
PubChem CID4809023
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]quinazolin-4-one
SMILESCc1cc(C(=O)Cn2cnc3ccccc3c2=O)c(C)n1C(C)C
InChIInChI=1S/C19H21N3O2/c1-12(2)22-13(3)9-16(14(22)4)18(23)10-21-11-20-17-8-6-5-7-15(17)19(21)24/h5-9,11-12H,10H2,1-4H3
InChIKeyRWUCWCFRCURAOM-UHFFFAOYSA-N
XLogP3.28
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]quinazolin-4-one 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-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]quinazolin-4-one
CID 7628279
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 932622
3-[2-(2,5-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
CID 17436537
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995265
2-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-(2-hydroxyethyl)quinazolin-4-one
CID 4794477
3-[2-oxo-2-(1-propylindol-3-yl)ethyl]quinazolin-4-one
CID 41316271
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(N-ethylanilino)ethanone
CID 110654072
[2-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 29245795
5-[2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7680112
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide
CID 24542922

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]quinazolin-4-one (CID 4809023) is 3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]quinazolin-4-one is Cc1cc(C(=O)Cn2cnc3ccccc3c2=O)c(C)n1C(C)C.
What is the InChIKey of 3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]quinazolin-4-one?
The InChIKey is RWUCWCFRCURAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12(2)22-13(3)9-16(14(22)4)18(23)10-21-11-20-17-8-6-5-7-15(17)19(21)24/h5-9,11-12H,10H2,1-4H3.
What are the key properties of 3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]quinazolin-4-one?
3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]quinazolin-4-one has a molecular weight of 323.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 4809023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).