1-(furan-2-ylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydroquinazolin-2-one

C19H23N3O3S — CID 7596576

IUPAC1-(furan-2-ylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydroquinazolin-2-one
SMILESO=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCCC2)N1CCCC1
InChIInChI=1S/C19H23N3O3S/c23-17(21-9-3-4-10-21)13-26-18-15-7-1-2-8-16(15)22(19(24)20-18)12-14-6-5-11-25-14/h5-6,11H,1-4,7-10,12-13H2
InChIKeyOPLROINUZGNIEX-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.48
Rot. Bonds5

About 1-(furan-2-ylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydroquinazolin-2-one

1-(furan-2-ylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydroquinazolin-2-one (PubChem CID 7596576) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydroquinazolin-2-one.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydroquinazolin-2-one
PubChem CID7596576
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name1-(furan-2-ylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydroquinazolin-2-one
SMILESO=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCCC2)N1CCCC1
InChIInChI=1S/C19H23N3O3S/c23-17(21-9-3-4-10-21)13-26-18-15-7-1-2-8-16(15)22(19(24)20-18)12-14-6-5-11-25-14/h5-6,11H,1-4,7-10,12-13H2
InChIKeyOPLROINUZGNIEX-UHFFFAOYSA-N
XLogP2.48
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(furan-2-ylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydroquinazolin-2-one with MolForge

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Related Compounds

N-(2,3-dimethylphenyl)-2-[[1-(furan-2-ylmethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
CID 7596536
2-[[1-(furan-2-ylmethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 7596565
2-[[1-(furan-2-ylmethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7596682
N-[(4-fluorophenyl)methyl]-2-[[1-(furan-2-ylmethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
CID 7422567
1-(furan-2-ylmethyl)-4-(naphthalen-1-ylmethylsulfanyl)-5,6,7,8-tetrahydroquinazolin-2-one
CID 7596791
2-[[1-(furan-2-ylmethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7596671
N-[3,5-bis(trifluoromethyl)phenyl]-2-[[1-(furan-2-ylmethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
CID 43995540
1-(furan-2-ylmethyl)-4-(pyridin-3-ylmethylsulfanyl)-5,6,7,8-tetrahydroquinazolin-2-one
CID 40518899
1-(furan-2-ylmethyl)-4-[(2-methylphenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
CID 7422597
4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one
CID 7596599
N-(2,4-difluorophenyl)-2-[[1-(furan-2-ylmethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
CID 27555193
4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(furan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
CID 7422603

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydroquinazolin-2-one?
The IUPAC name of 1-(furan-2-ylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydroquinazolin-2-one (CID 7596576) is 1-(furan-2-ylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydroquinazolin-2-one.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydroquinazolin-2-one?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydroquinazolin-2-one is O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCCC2)N1CCCC1.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydroquinazolin-2-one?
The InChIKey is OPLROINUZGNIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-17(21-9-3-4-10-21)13-26-18-15-7-1-2-8-16(15)22(19(24)20-18)12-14-6-5-11-25-14/h5-6,11H,1-4,7-10,12-13H2.
What are the key properties of 1-(furan-2-ylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydroquinazolin-2-one?
1-(furan-2-ylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydroquinazolin-2-one has a molecular weight of 373.48 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydroquinazolin-2-one is sourced from PubChem (CID 7596576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).