N-(4-methoxyphenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide

C24H22N4O3S — CID 127051442

IUPACN-(4-methoxyphenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccccn2)cc1
InChIInChI=1S/C24H22N4O3S/c1-31-19-11-9-18(10-12-19)26-22(29)16-32-24-27-21-8-3-2-7-20(21)23(30)28(24)15-13-17-6-4-5-14-25-17/h2-12,14H,13,15-16H2,1H3,(H,26,29)
InChIKeyIEFZMSHPGLWDFW-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.77
Rot. Bonds8

About N-(4-methoxyphenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide

N-(4-methoxyphenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide (PubChem CID 127051442) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide
PubChem CID127051442
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-(4-methoxyphenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccccn2)cc1
InChIInChI=1S/C24H22N4O3S/c1-31-19-11-9-18(10-12-19)26-22(29)16-32-24-27-21-8-3-2-7-20(21)23(30)28(24)15-13-17-6-4-5-14-25-17/h2-12,14H,13,15-16H2,1H3,(H,26,29)
InChIKeyIEFZMSHPGLWDFW-UHFFFAOYSA-N
XLogP3.77
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide (CID 127051442) is N-(4-methoxyphenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide is COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccccn2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide?
The InChIKey is IEFZMSHPGLWDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-31-19-11-9-18(10-12-19)26-22(29)16-32-24-27-21-8-3-2-7-20(21)23(30)28(24)15-13-17-6-4-5-14-25-17/h2-12,14H,13,15-16H2,1H3,(H,26,29).
What are the key properties of N-(4-methoxyphenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide?
N-(4-methoxyphenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide has a molecular weight of 446.53 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 127051442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).