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

C23H29ClN4O3S — CID 18578793

IUPACN-(4-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)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H29ClN4O3S/c24-17-6-8-18(9-7-17)25-21(29)16-32-22-19-4-1-2-5-20(19)28(23(30)26-22)11-3-10-27-12-14-31-15-13-27/h6-9H,1-5,10-16H2,(H,25,29)
InChIKeyANINSPHHVXZUQX-UHFFFAOYSA-N
MW477.03 g/mol
LogP3.23
Rot. Bonds8

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

N-(4-chlorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide (PubChem CID 18578793) has the molecular formula C23H29ClN4O3S and a molecular weight of 477.03 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
PubChem CID18578793
Molecular FormulaC23H29ClN4O3S
Molecular Weight477.03 g/mol
Exact Mass476.16
IUPAC NameN-(4-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)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H29ClN4O3S/c24-17-6-8-18(9-7-17)25-21(29)16-32-22-19-4-1-2-5-20(19)28(23(30)26-22)11-3-10-27-12-14-31-15-13-27/h6-9H,1-5,10-16H2,(H,25,29)
InChIKeyANINSPHHVXZUQX-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-acetamidophenyl)-2-((1-(3-morpholinopropyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 18578527
N-(2-fluorophenyl)-2-((1-(3-morpholinopropyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 18578529
N-(4-fluorophenyl)-2-((1-(3-morpholinopropyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 18578531
N-(2,4-difluorophenyl)-2-((1-(3-morpholinopropyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 18578542
N-(3-chloro-2-methylphenyl)-2-((1-(3-morpholinopropyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 18578552
N-(3-acetamidophenyl)-2-((1-(2-morpholinoethyl)-2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)thio)acetamide
CID 18578691
N-(3-chlorophenyl)-2-((1-(3-morpholinopropyl)-2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)thio)acetamide
CID 18578792
9-[(4-Chloroanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 122179695
N-(3,4-dichlorophenyl)-2-((1-(2-morpholinoethyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 16032766
N-(3-chloro-2-methylphenyl)-2-((1-(2-morpholinoethyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 16032768
N-(4-acetamidophenyl)-2-((1-(3-morpholinopropyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 18578528
2-((1-(2-morpholinoethyl)-2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)thio)-N-(o-tolyl)acetamide
CID 18578693

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide (CID 18578793) is N-(4-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-(4-chlorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-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)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The InChIKey is ANINSPHHVXZUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O3S/c24-17-6-8-18(9-7-17)25-21(29)16-32-22-19-4-1-2-5-20(19)28(23(30)26-22)11-3-10-27-12-14-31-15-13-27/h6-9H,1-5,10-16H2,(H,25,29).
What are the key properties of N-(4-chlorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
N-(4-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-(4-chlorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide is sourced from PubChem (CID 18578793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).