methyl 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate

C20H20N2O4S — CID 18122399

IUPACmethyl 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CSc1nc2ccccc2c(=O)n1C1CCCC1
InChIInChI=1S/C20H20N2O4S/c1-25-19(24)17-13(10-11-26-17)12-27-20-21-16-9-5-4-8-15(16)18(23)22(20)14-6-2-3-7-14/h4-5,8-11,14H,2-3,6-7,12H2,1H3
InChIKeyQZYUNJBWNFJEET-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.18
Rot. Bonds5

About methyl 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate

methyl 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate (PubChem CID 18122399) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is methyl 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate
PubChem CID18122399
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Namemethyl 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CSc1nc2ccccc2c(=O)n1C1CCCC1
InChIInChI=1S/C20H20N2O4S/c1-25-19(24)17-13(10-11-26-17)12-27-20-21-16-9-5-4-8-15(16)18(23)22(20)14-6-2-3-7-14/h4-5,8-11,14H,2-3,6-7,12H2,1H3
InChIKeyQZYUNJBWNFJEET-UHFFFAOYSA-N
XLogP4.18
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 16578648
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-cyclohexylquinazolin-4-one
CID 4596643
methyl 4-[[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1155405
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 9362378
3-cyclopentyl-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one
CID 55997776
3-cyclopentyl-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one
CID 18130615
4-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzamide
CID 27350175
6-[(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 55479417
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 17430885
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide
CID 7988471
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 7988603
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 1071921

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate (CID 18122399) is methyl 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate is COC(=O)c1occc1CSc1nc2ccccc2c(=O)n1C1CCCC1.
What is the InChIKey of methyl 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate?
The InChIKey is QZYUNJBWNFJEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-25-19(24)17-13(10-11-26-17)12-27-20-21-16-9-5-4-8-15(16)18(23)22(20)14-6-2-3-7-14/h4-5,8-11,14H,2-3,6-7,12H2,1H3.
What are the key properties of methyl 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate?
methyl 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate has a molecular weight of 384.46 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate is sourced from PubChem (CID 18122399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).