[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate

C21H23N3O4 — CID 7995265

IUPAC[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESCCCn1c(C)cc(C(=O)COC(=O)Cn2cnc3ccccc3c2=O)c1C
InChIInChI=1S/C21H23N3O4/c1-4-9-24-14(2)10-17(15(24)3)19(25)12-28-20(26)11-23-13-22-18-8-6-5-7-16(18)21(23)27/h5-8,10,13H,4,9,11-12H2,1-3H3
InChIKeyFUUFAZFBKDNGIT-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.65
Rot. Bonds7

About [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate

[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 7995265) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID7995265
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESCCCn1c(C)cc(C(=O)COC(=O)Cn2cnc3ccccc3c2=O)c1C
InChIInChI=1S/C21H23N3O4/c1-4-9-24-14(2)10-17(15(24)3)19(25)12-28-20(26)11-23-13-22-18-8-6-5-7-16(18)21(23)27/h5-8,10,13H,4,9,11-12H2,1-3H3
InChIKeyFUUFAZFBKDNGIT-UHFFFAOYSA-N
XLogP2.65
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate with MolForge

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Related Compounds

[2-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 29245795
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 46567433
3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]quinazolin-4-one
CID 7628279
3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]quinazolin-4-one
CID 4809023
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] quinoline-2-carboxylate
CID 2649802
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 9405935
(1-propyltetrazol-5-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate
CID 9405619
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 3520659
[2-(2-ethylanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995489
3-propylquinazolin-4-one
CID 529124
[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587391
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8573915

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (CID 7995265) is [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is CCCn1c(C)cc(C(=O)COC(=O)Cn2cnc3ccccc3c2=O)c1C.
What is the InChIKey of [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is FUUFAZFBKDNGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-4-9-24-14(2)10-17(15(24)3)19(25)12-28-20(26)11-23-13-22-18-8-6-5-7-16(18)21(23)27/h5-8,10,13H,4,9,11-12H2,1-3H3.
What are the key properties of [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 381.43 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 7995265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).