methyl 2-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-3-carboxylate

C23H20N2O4S — CID 31582558

IUPACmethyl 2-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CSc1nc2ccccc2c(=O)n1-c1cc(C)ccc1C
InChIInChI=1S/C23H20N2O4S/c1-14-8-9-15(2)19(12-14)25-21(26)16-6-4-5-7-18(16)24-23(25)30-13-20-17(10-11-29-20)22(27)28-3/h4-12H,13H2,1-3H3
InChIKeyKRCZFZGYKDOAES-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.67
Rot. Bonds5

About methyl 2-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-3-carboxylate

methyl 2-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-3-carboxylate (PubChem CID 31582558) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is methyl 2-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-3-carboxylate
PubChem CID31582558
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC Namemethyl 2-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CSc1nc2ccccc2c(=O)n1-c1cc(C)ccc1C
InChIInChI=1S/C23H20N2O4S/c1-14-8-9-15(2)19(12-14)25-21(26)16-6-4-5-7-18(16)24-23(25)30-13-20-17(10-11-29-20)22(27)28-3/h4-12H,13H2,1-3H3
InChIKeyKRCZFZGYKDOAES-UHFFFAOYSA-N
XLogP4.67
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-3-carboxylate with MolForge

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Related Compounds

4-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
CID 27356270
N-carbamoyl-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7896152
3-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51481542
3-(2,5-dimethylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 7896163
2-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl-3-(2-methoxy-5-methylphenyl)quinazolin-4-one
CID 2467319
2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide
CID 31673280
N-(2-chlorophenyl)-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1432211
2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(2,5-dimethylphenyl)quinazolin-4-one
CID 60517104
(2S)-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyethyl)propanamide
CID 8983530
3-(2,5-dimethylphenyl)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one
CID 24631347
3-(2,5-dimethoxyphenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]quinazolin-4-one
CID 51365481
2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyethyl)acetamide
CID 2583905

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-3-carboxylate (CID 31582558) is methyl 2-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-3-carboxylate is COC(=O)c1ccoc1CSc1nc2ccccc2c(=O)n1-c1cc(C)ccc1C.
What is the InChIKey of methyl 2-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-3-carboxylate?
The InChIKey is KRCZFZGYKDOAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-14-8-9-15(2)19(12-14)25-21(26)16-6-4-5-7-18(16)24-23(25)30-13-20-17(10-11-29-20)22(27)28-3/h4-12H,13H2,1-3H3.
What are the key properties of methyl 2-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-3-carboxylate?
methyl 2-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-3-carboxylate has a molecular weight of 420.49 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-3-carboxylate is sourced from PubChem (CID 31582558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).