N-(2-ethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide

C25H34N4O4S — CID 18578788

IUPACN-(2-ethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
SMILESCCOc1ccccc1NC(=O)CSc1nc(=O)n(CCCN2CCOCC2)c2c1CCCC2
InChIInChI=1S/C25H34N4O4S/c1-2-33-22-11-6-4-9-20(22)26-23(30)18-34-24-19-8-3-5-10-21(19)29(25(31)27-24)13-7-12-28-14-16-32-17-15-28/h4,6,9,11H,2-3,5,7-8,10,12-18H2,1H3,(H,26,30)
InChIKeySFJCLZQSAMVDBT-UHFFFAOYSA-N
MW486.64 g/mol
LogP2.97
Rot. Bonds10

About N-(2-ethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide

N-(2-ethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide (PubChem CID 18578788) has the molecular formula C25H34N4O4S and a molecular weight of 486.64 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
PubChem CID18578788
Molecular FormulaC25H34N4O4S
Molecular Weight486.64 g/mol
Exact Mass486.23
IUPAC NameN-(2-ethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
SMILESCCOc1ccccc1NC(=O)CSc1nc(=O)n(CCCN2CCOCC2)c2c1CCCC2
InChIInChI=1S/C25H34N4O4S/c1-2-33-22-11-6-4-9-20(22)26-23(30)18-34-24-19-8-3-5-10-21(19)29(25(31)27-24)13-7-12-28-14-16-32-17-15-28/h4,6,9,11H,2-3,5,7-8,10,12-18H2,1H3,(H,26,30)
InChIKeySFJCLZQSAMVDBT-UHFFFAOYSA-N
XLogP2.97
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.64
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide (CID 18578788) is N-(2-ethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide is CCOc1ccccc1NC(=O)CSc1nc(=O)n(CCCN2CCOCC2)c2c1CCCC2.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The InChIKey is SFJCLZQSAMVDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4S/c1-2-33-22-11-6-4-9-20(22)26-23(30)18-34-24-19-8-3-5-10-21(19)29(25(31)27-24)13-7-12-28-14-16-32-17-15-28/h4,6,9,11H,2-3,5,7-8,10,12-18H2,1H3,(H,26,30).
What are the key properties of N-(2-ethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
N-(2-ethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide has a molecular weight of 486.64 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide is sourced from PubChem (CID 18578788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).