[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate

C24H25N3O6S — CID 55459792

IUPAC[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
SMILESCc1cccc2c(=O)n(CCC(=O)OCC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cnc12
InChIInChI=1S/C24H25N3O6S/c1-17-5-4-6-20-23(17)25-16-26(24(20)30)14-11-22(29)33-15-21(28)18-7-9-19(10-8-18)34(31,32)27-12-2-3-13-27/h4-10,16H,2-3,11-15H2,1H3
InChIKeyPYLHGSLEKROVON-UHFFFAOYSA-N
MW483.55 g/mol
LogP2.31
Rot. Bonds8

About [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate

[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate (PubChem CID 55459792) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
PubChem CID55459792
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC Name[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
SMILESCc1cccc2c(=O)n(CCC(=O)OCC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cnc12
InChIInChI=1S/C24H25N3O6S/c1-17-5-4-6-20-23(17)25-16-26(24(20)30)14-11-22(29)33-15-21(28)18-7-9-19(10-8-18)34(31,32)27-12-2-3-13-27/h4-10,16H,2-3,11-15H2,1H3
InChIKeyPYLHGSLEKROVON-UHFFFAOYSA-N
XLogP2.31
TPSA115.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 55309003
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 24529096
(6-chloro-3-pyridinyl)methyl 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 34106710
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate
CID 55495394
3-(2-aminoethyl)-8-methylquinazolin-4-one
CID 82506522
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 33486199
4-(8-methyl-4-oxoquinazolin-3-yl)butanoate
CID 9167242
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 51272641
8-methyl-3-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 119544609
8-methyl-3-[3-oxo-3-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propyl]quinazolin-4-one
CID 95585347
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 55316963
8-methyl-3-[3-oxo-3-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]propyl]quinazolin-4-one
CID 86890883

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate?
The IUPAC name of [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate (CID 55459792) is [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate.
What is the SMILES notation for [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate?
The canonical SMILES for [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate is Cc1cccc2c(=O)n(CCC(=O)OCC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cnc12.
What is the InChIKey of [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate?
The InChIKey is PYLHGSLEKROVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-17-5-4-6-20-23(17)25-16-26(24(20)30)14-11-22(29)33-15-21(28)18-7-9-19(10-8-18)34(31,32)27-12-2-3-13-27/h4-10,16H,2-3,11-15H2,1H3.
What are the key properties of [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate?
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate has a molecular weight of 483.55 g/mol, XLogP of 2.31, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate is sourced from PubChem (CID 55459792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).