4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one

C25H32N4O3S — CID 26843630

IUPAC4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
SMILESO=C(CSc1nc(=O)n(CCCN2CCOCC2)c2c1CCC2)N1CCCc2ccccc21
InChIInChI=1S/C25H32N4O3S/c30-23(28-12-4-7-19-6-1-2-9-21(19)28)18-33-24-20-8-3-10-22(20)29(25(31)26-24)13-5-11-27-14-16-32-17-15-27/h1-2,6,9H,3-5,7-8,10-18H2
InChIKeyHNUBALHZUNEFCT-UHFFFAOYSA-N
MW468.62 g/mol
LogP2.53
Rot. Bonds7

About 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one

4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one (PubChem CID 26843630) has the molecular formula C25H32N4O3S and a molecular weight of 468.62 g/mol. Its IUPAC name is 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one.

Molecular Properties

Compound Name4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
PubChem CID26843630
Molecular FormulaC25H32N4O3S
Molecular Weight468.62 g/mol
Exact Mass468.22
IUPAC Name4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
SMILESO=C(CSc1nc(=O)n(CCCN2CCOCC2)c2c1CCC2)N1CCCc2ccccc21
InChIInChI=1S/C25H32N4O3S/c30-23(28-12-4-7-19-6-1-2-9-21(19)28)18-33-24-20-8-3-10-22(20)29(25(31)26-24)13-5-11-27-14-16-32-17-15-27/h1-2,6,9H,3-5,7-8,10-18H2
InChIKeyHNUBALHZUNEFCT-UHFFFAOYSA-N
XLogP2.53
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one with MolForge

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Related Compounds

2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]ethyl-dimethylazanium
CID 7385535
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-chlorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
CID 18578792
2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 29057839
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
CID 2161219
N-(2-chlorophenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
CID 18578718
2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-(2-nitrophenyl)acetamide
CID 29057814
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
CID 121046173
4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 7527185
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 113160669
2-[[1-(3-hydroxypropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-phenylacetamide
CID 41245977
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylethanone
CID 1169557

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The IUPAC name of 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one (CID 26843630) is 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one.
What is the SMILES notation for 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The canonical SMILES for 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one is O=C(CSc1nc(=O)n(CCCN2CCOCC2)c2c1CCC2)N1CCCc2ccccc21.
What is the InChIKey of 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The InChIKey is HNUBALHZUNEFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3S/c30-23(28-12-4-7-19-6-1-2-9-21(19)28)18-33-24-20-8-3-10-22(20)29(25(31)26-24)13-5-11-27-14-16-32-17-15-27/h1-2,6,9H,3-5,7-8,10-18H2.
What are the key properties of 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one has a molecular weight of 468.62 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one is sourced from PubChem (CID 26843630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).