N-(4-ethylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide

C26H30N4O3S — CID 6624259

IUPACN-(4-ethylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)N2CCCC2)cc1
InChIInChI=1S/C26H30N4O3S/c1-2-19-11-13-20(14-12-19)27-23(31)18-34-26-28-22-9-4-3-8-21(22)25(33)30(26)17-7-10-24(32)29-15-5-6-16-29/h3-4,8-9,11-14H,2,5-7,10,15-18H2,1H3,(H,27,31)
InChIKeyRNITUXAEIUOKNO-UHFFFAOYSA-N
MW478.62 g/mol
LogP4.09
Rot. Bonds9

About N-(4-ethylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide

N-(4-ethylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide (PubChem CID 6624259) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide
PubChem CID6624259
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC NameN-(4-ethylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)N2CCCC2)cc1
InChIInChI=1S/C26H30N4O3S/c1-2-19-11-13-20(14-12-19)27-23(31)18-34-26-28-22-9-4-3-8-21(22)25(33)30(26)17-7-10-24(32)29-15-5-6-16-29/h3-4,8-9,11-14H,2,5-7,10,15-18H2,1H3,(H,27,31)
InChIKeyRNITUXAEIUOKNO-UHFFFAOYSA-N
XLogP4.09
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide (CID 6624259) is N-(4-ethylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide is CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)N2CCCC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide?
The InChIKey is RNITUXAEIUOKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-2-19-11-13-20(14-12-19)27-23(31)18-34-26-28-22-9-4-3-8-21(22)25(33)30(26)17-7-10-24(32)29-15-5-6-16-29/h3-4,8-9,11-14H,2,5-7,10,15-18H2,1H3,(H,27,31).
What are the key properties of N-(4-ethylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide?
N-(4-ethylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide has a molecular weight of 478.62 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 6624259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).