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

C23H30N4O3S — CID 18578693

IUPACN-(2-methylphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
SMILESCc1ccccc1NC(=O)CSc1nc(=O)n(CCN2CCOCC2)c2c1CCCC2
InChIInChI=1S/C23H30N4O3S/c1-17-6-2-4-8-19(17)24-21(28)16-31-22-18-7-3-5-9-20(18)27(23(29)25-22)11-10-26-12-14-30-15-13-26/h2,4,6,8H,3,5,7,9-16H2,1H3,(H,24,28)
InChIKeyXGKGHAAESRJKKH-UHFFFAOYSA-N
MW442.59 g/mol
LogP2.49
Rot. Bonds7

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

N-(2-methylphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide (PubChem CID 18578693) has the molecular formula C23H30N4O3S and a molecular weight of 442.59 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
PubChem CID18578693
Molecular FormulaC23H30N4O3S
Molecular Weight442.59 g/mol
Exact Mass442.20
IUPAC NameN-(2-methylphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
SMILESCc1ccccc1NC(=O)CSc1nc(=O)n(CCN2CCOCC2)c2c1CCCC2
InChIInChI=1S/C23H30N4O3S/c1-17-6-2-4-8-19(17)24-21(28)16-31-22-18-7-3-5-9-20(18)27(23(29)25-22)11-10-26-12-14-30-15-13-26/h2,4,6,8H,3,5,7,9-16H2,1H3,(H,24,28)
InChIKeyXGKGHAAESRJKKH-UHFFFAOYSA-N
XLogP2.49
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide (CID 18578693) is N-(2-methylphenyl)-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-methylphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide is Cc1ccccc1NC(=O)CSc1nc(=O)n(CCN2CCOCC2)c2c1CCCC2.
What is the InChIKey of N-(2-methylphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The InChIKey is XGKGHAAESRJKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S/c1-17-6-2-4-8-19(17)24-21(28)16-31-22-18-7-3-5-9-20(18)27(23(29)25-22)11-10-26-12-14-30-15-13-26/h2,4,6,8H,3,5,7,9-16H2,1H3,(H,24,28).
What are the key properties of N-(2-methylphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
N-(2-methylphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide has a molecular weight of 442.59 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide is sourced from PubChem (CID 18578693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).