3-(furan-2-ylmethyl)-2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one

C24H25N3O4S — CID 2489940

IUPAC3-(furan-2-ylmethyl)-2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one
SMILESCOCCn1c(C)cc(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)c1C
InChIInChI=1S/C24H25N3O4S/c1-16-13-20(17(2)26(16)10-12-30-3)22(28)15-32-24-25-21-9-5-4-8-19(21)23(29)27(24)14-18-7-6-11-31-18/h4-9,11,13H,10,12,14-15H2,1-3H3
InChIKeyNWFYMCYMJAFANR-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.08
Rot. Bonds9

About 3-(furan-2-ylmethyl)-2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one

3-(furan-2-ylmethyl)-2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one (PubChem CID 2489940) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one
PubChem CID2489940
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name3-(furan-2-ylmethyl)-2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one
SMILESCOCCn1c(C)cc(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)c1C
InChIInChI=1S/C24H25N3O4S/c1-16-13-20(17(2)26(16)10-12-30-3)22(28)15-32-24-25-21-9-5-4-8-19(21)23(29)27(24)14-18-7-6-11-31-18/h4-9,11,13H,10,12,14-15H2,1-3H3
InChIKeyNWFYMCYMJAFANR-UHFFFAOYSA-N
XLogP4.08
TPSA79.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(furan-2-ylmethyl)-2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one with MolForge

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Related Compounds

3-(furan-2-ylmethyl)-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
CID 666844
5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]-3-(2-furylmethyl)-2-thioxo-1,3-thiazolidin-4-one
CID 1310185
2-[2-(2,5-Dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one
CID 2490206
N-(2-furylmethyl)-4-oxo-3-pentyl-2-[(pyridin-4-ylmethyl)thio]-3,4-dihydroquinazoline-7-carboxamide
CID 3242749
4-amino-2-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135537976
N,N-diethyl-2-{[3-(furan-2-ylmethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
CID 1071957
2-{[3-(furan-2-ylmethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N,N-dipropylacetamide
CID 4643424
N-butyl-N-ethyl-2-{[3-(furan-2-ylmethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
CID 4532371
N-Furan-2-ylmethyl-2-(3-furan-2-ylmethyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetamide
CID 653002
3-(Furan-2-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 1071958
1-[1-(Furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2105421
2-(1,3-Benzothiazol-2-ylmethylsulfanyl)-3-(furan-2-ylmethyl)quinazolin-4-one
CID 2489851

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one?
The IUPAC name of 3-(furan-2-ylmethyl)-2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one (CID 2489940) is 3-(furan-2-ylmethyl)-2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one is COCCn1c(C)cc(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)c1C.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one?
The InChIKey is NWFYMCYMJAFANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-16-13-20(17(2)26(16)10-12-30-3)22(28)15-32-24-25-21-9-5-4-8-19(21)23(29)27(24)14-18-7-6-11-31-18/h4-9,11,13H,10,12,14-15H2,1-3H3.
What are the key properties of 3-(furan-2-ylmethyl)-2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one?
3-(furan-2-ylmethyl)-2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one has a molecular weight of 451.55 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one is sourced from PubChem (CID 2489940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).