[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate

C21H23N3O4 — CID 135782923

IUPAC[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
SMILESCc1cc(C(=O)COC(=O)CCCc2nc3ccccc3c(=O)[nH]2)c(C)n1C
InChIInChI=1S/C21H23N3O4/c1-13-11-16(14(2)24(13)3)18(25)12-28-20(26)10-6-9-19-22-17-8-5-4-7-15(17)21(27)23-19/h4-5,7-8,11H,6,9-10,12H2,1-3H3,(H,22,23,27)
InChIKeyLQSOYTADPCHPHG-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.63
Rot. Bonds7

About [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate

[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate (PubChem CID 135782923) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate.

Molecular Properties

Compound Name[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
PubChem CID135782923
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
SMILESCc1cc(C(=O)COC(=O)CCCc2nc3ccccc3c(=O)[nH]2)c(C)n1C
InChIInChI=1S/C21H23N3O4/c1-13-11-16(14(2)24(13)3)18(25)12-28-20(26)10-6-9-19-22-17-8-5-4-7-15(17)21(27)23-19/h4-5,7-8,11H,6,9-10,12H2,1-3H3,(H,22,23,27)
InChIKeyLQSOYTADPCHPHG-UHFFFAOYSA-N
XLogP2.63
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate with MolForge

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Launch Full Analysis

Related Compounds

[2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782954
(2-anilino-2-oxoethyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782994
[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831605
[2-oxo-2-(pentan-3-ylamino)ethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782918
2-propan-2-yloxyethyl 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 137300073
[2-(4-methoxyanilino)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782984
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135783007
(4-tert-butyl-2-methylphenyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 137281056
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135738591
[2-(4-chlorophenyl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135445852
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831902
[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831596

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate?
The IUPAC name of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate (CID 135782923) is [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate.
What is the SMILES notation for [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate?
The canonical SMILES for [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate is Cc1cc(C(=O)COC(=O)CCCc2nc3ccccc3c(=O)[nH]2)c(C)n1C.
What is the InChIKey of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate?
The InChIKey is LQSOYTADPCHPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-13-11-16(14(2)24(13)3)18(25)12-28-20(26)10-6-9-19-22-17-8-5-4-7-15(17)21(27)23-19/h4-5,7-8,11H,6,9-10,12H2,1-3H3,(H,22,23,27).
What are the key properties of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate?
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate has a molecular weight of 381.43 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate is sourced from PubChem (CID 135782923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).