N-(2-methoxyethyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide

C18H23N3O4S — CID 3241499

IUPACN-(2-methoxyethyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide
SMILESCOCCNC(=O)CSc1nc2ccccc2c(=O)n1CC1CCCO1
InChIInChI=1S/C18H23N3O4S/c1-24-10-8-19-16(22)12-26-18-20-15-7-3-2-6-14(15)17(23)21(18)11-13-5-4-9-25-13/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,19,22)
InChIKeyWHEZABRAPZXZKL-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.43
Rot. Bonds8

About N-(2-methoxyethyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide

N-(2-methoxyethyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide (PubChem CID 3241499) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide
PubChem CID3241499
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-(2-methoxyethyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide
SMILESCOCCNC(=O)CSc1nc2ccccc2c(=O)n1CC1CCCO1
InChIInChI=1S/C18H23N3O4S/c1-24-10-8-19-16(22)12-26-18-20-15-7-3-2-6-14(15)17(23)21(18)11-13-5-4-9-25-13/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,19,22)
InChIKeyWHEZABRAPZXZKL-UHFFFAOYSA-N
XLogP1.43
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide (CID 3241499) is N-(2-methoxyethyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide is COCCNC(=O)CSc1nc2ccccc2c(=O)n1CC1CCCO1.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide?
The InChIKey is WHEZABRAPZXZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-24-10-8-19-16(22)12-26-18-20-15-7-3-2-6-14(15)17(23)21(18)11-13-5-4-9-25-13/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,19,22).
What are the key properties of N-(2-methoxyethyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide?
N-(2-methoxyethyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide has a molecular weight of 377.47 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 3241499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).