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

C24H32N4O4S — CID 18578688

IUPACN-(2-ethoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
SMILESCCOc1ccccc1NC(=O)CSc1nc(=O)n(CCN2CCOCC2)c2c1CCCC2
InChIInChI=1S/C24H32N4O4S/c1-2-32-21-10-6-4-8-19(21)25-22(29)17-33-23-18-7-3-5-9-20(18)28(24(30)26-23)12-11-27-13-15-31-16-14-27/h4,6,8,10H,2-3,5,7,9,11-17H2,1H3,(H,25,29)
InChIKeyKREUIKBEGWJJTK-UHFFFAOYSA-N
MW472.61 g/mol
LogP2.58
Rot. Bonds9

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

N-(2-ethoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide (PubChem CID 18578688) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
PubChem CID18578688
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC NameN-(2-ethoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
SMILESCCOc1ccccc1NC(=O)CSc1nc(=O)n(CCN2CCOCC2)c2c1CCCC2
InChIInChI=1S/C24H32N4O4S/c1-2-32-21-10-6-4-8-19(21)25-22(29)17-33-23-18-7-3-5-9-20(18)28(24(30)26-23)12-11-27-13-15-31-16-14-27/h4,6,8,10H,2-3,5,7,9,11-17H2,1H3,(H,25,29)
InChIKeyKREUIKBEGWJJTK-UHFFFAOYSA-N
XLogP2.58
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 52.58
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-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide (CID 18578688) is N-(2-ethoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide is CCOc1ccccc1NC(=O)CSc1nc(=O)n(CCN2CCOCC2)c2c1CCCC2.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The InChIKey is KREUIKBEGWJJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-2-32-21-10-6-4-8-19(21)25-22(29)17-33-23-18-7-3-5-9-20(18)28(24(30)26-23)12-11-27-13-15-31-16-14-27/h4,6,8,10H,2-3,5,7,9,11-17H2,1H3,(H,25,29).
What are the key properties of N-(2-ethoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
N-(2-ethoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide has a molecular weight of 472.61 g/mol, XLogP of 2.58, 9 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-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide is sourced from PubChem (CID 18578688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).