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

C23H29ClN4O3S — CID 18578792

IUPACN-(3-chlorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc(=O)n(CCCN2CCOCC2)c2c1CCCC2)Nc1cccc(Cl)c1
InChIInChI=1S/C23H29ClN4O3S/c24-17-5-3-6-18(15-17)25-21(29)16-32-22-19-7-1-2-8-20(19)28(23(30)26-22)10-4-9-27-11-13-31-14-12-27/h3,5-6,15H,1-2,4,7-14,16H2,(H,25,29)
InChIKeyJKPPLTISCBEXPH-UHFFFAOYSA-N
MW477.03 g/mol
LogP3.23
Rot. Bonds8

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

N-(3-chlorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide (PubChem CID 18578792) has the molecular formula C23H29ClN4O3S and a molecular weight of 477.03 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
PubChem CID18578792
Molecular FormulaC23H29ClN4O3S
Molecular Weight477.03 g/mol
Exact Mass476.16
IUPAC NameN-(3-chlorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc(=O)n(CCCN2CCOCC2)c2c1CCCC2)Nc1cccc(Cl)c1
InChIInChI=1S/C23H29ClN4O3S/c24-17-5-3-6-18(15-17)25-21(29)16-32-22-19-7-1-2-8-20(19)28(23(30)26-22)10-4-9-27-11-13-31-14-12-27/h3,5-6,15H,1-2,4,7-14,16H2,(H,25,29)
InChIKeyJKPPLTISCBEXPH-UHFFFAOYSA-N
XLogP3.23
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.03
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chlorophenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
CID 18578695
2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 29057839
4-[[2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetyl]amino]benzamide
CID 121046207
N-(4-acetamidophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
CID 18578528
N-(3,5-dimethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
CID 29057865
3-[4-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]propyl-dimethylazanium
CID 7385621
N-(2-chlorophenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
CID 18578718
2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
CID 18578546
N-[(2-chlorophenyl)methyl]-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
CID 121046180
N-cyclopentyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
CID 121046205
N-(2,5-dimethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
CID 18578521
N-(2,4-difluorophenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
CID 18578707

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide (CID 18578792) is N-(3-chlorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide is O=C(CSc1nc(=O)n(CCCN2CCOCC2)c2c1CCCC2)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The InChIKey is JKPPLTISCBEXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O3S/c24-17-5-3-6-18(15-17)25-21(29)16-32-22-19-7-1-2-8-20(19)28(23(30)26-22)10-4-9-27-11-13-31-14-12-27/h3,5-6,15H,1-2,4,7-14,16H2,(H,25,29).
What are the key properties of N-(3-chlorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
N-(3-chlorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide has a molecular weight of 477.03 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide is sourced from PubChem (CID 18578792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).