N-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide

C25H30N4O5S — CID 11957191

IUPACN-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCOCCNC(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1Cc1ccc(OC)cc1
InChIInChI=1S/C25H30N4O5S/c1-32-12-9-26-23(30)17-35-25-27-22-8-5-19(28-10-13-34-14-11-28)15-21(22)24(31)29(25)16-18-3-6-20(33-2)7-4-18/h3-8,15H,9-14,16-17H2,1-2H3,(H,26,30)
InChIKeyUWKFXMULYPFETC-UHFFFAOYSA-N
MW498.61 g/mol
LogP2.14
Rot. Bonds10

About N-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide

N-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 11957191) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID11957191
Molecular FormulaC25H30N4O5S
Molecular Weight498.61 g/mol
Exact Mass498.19
IUPAC NameN-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCOCCNC(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1Cc1ccc(OC)cc1
InChIInChI=1S/C25H30N4O5S/c1-32-12-9-26-23(30)17-35-25-27-22-8-5-19(28-10-13-34-14-11-28)15-21(22)24(31)29(25)16-18-3-6-20(33-2)7-4-18/h3-8,15H,9-14,16-17H2,1-2H3,(H,26,30)
InChIKeyUWKFXMULYPFETC-UHFFFAOYSA-N
XLogP2.14
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 11957191) is N-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide is COCCNC(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1Cc1ccc(OC)cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is UWKFXMULYPFETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-32-12-9-26-23(30)17-35-25-27-22-8-5-19(28-10-13-34-14-11-28)15-21(22)24(31)29(25)16-18-3-6-20(33-2)7-4-18/h3-8,15H,9-14,16-17H2,1-2H3,(H,26,30).
What are the key properties of N-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 498.61 g/mol, XLogP of 2.14, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 11957191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).