methyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate

C23H19N3O5S — CID 2673547

IUPACmethyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(=O)n(-c3ccccc3)c(SCC(=O)NCc3ccco3)nc2c1
InChIInChI=1S/C23H19N3O5S/c1-30-22(29)15-9-10-18-19(12-15)25-23(26(21(18)28)16-6-3-2-4-7-16)32-14-20(27)24-13-17-8-5-11-31-17/h2-12H,13-14H2,1H3,(H,24,27)
InChIKeyUDJCDMRXUZULBS-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.17
Rot. Bonds7

About methyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate

methyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate (PubChem CID 2673547) has the molecular formula C23H19N3O5S and a molecular weight of 449.49 g/mol. Its IUPAC name is methyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate
PubChem CID2673547
Molecular FormulaC23H19N3O5S
Molecular Weight449.49 g/mol
Exact Mass449.10
IUPAC Namemethyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(=O)n(-c3ccccc3)c(SCC(=O)NCc3ccco3)nc2c1
InChIInChI=1S/C23H19N3O5S/c1-30-22(29)15-9-10-18-19(12-15)25-23(26(21(18)28)16-6-3-2-4-7-16)32-14-20(27)24-13-17-8-5-11-31-17/h2-12H,13-14H2,1H3,(H,24,27)
InChIKeyUDJCDMRXUZULBS-UHFFFAOYSA-N
XLogP3.17
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate with MolForge

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Related Compounds

methyl 4-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-3-phenylquinazoline-7-carboxylate
CID 2574905
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 2595050
methyl 4-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylquinazoline-7-carboxylate
CID 2575065
methyl 2-[1,3-bis(benzylamino)-1,3-dioxopropan-2-yl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate
CID 3493384
2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 16832954
methyl 2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate
CID 24617665
methyl 2-(3-cyanopropylsulfanyl)-4-oxo-3-phenylquinazoline-7-carboxylate
CID 7953789
2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 2584491
N-(furan-2-ylmethyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 2585294
methyl 2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxylate
CID 55322200
methyl 3-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate
CID 7644654
methyl 3-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate
CID 24521595

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate?
The IUPAC name of methyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate (CID 2673547) is methyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate.
What is the SMILES notation for methyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate?
The canonical SMILES for methyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate is COC(=O)c1ccc2c(=O)n(-c3ccccc3)c(SCC(=O)NCc3ccco3)nc2c1.
What is the InChIKey of methyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate?
The InChIKey is UDJCDMRXUZULBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O5S/c1-30-22(29)15-9-10-18-19(12-15)25-23(26(21(18)28)16-6-3-2-4-7-16)32-14-20(27)24-13-17-8-5-11-31-17/h2-12H,13-14H2,1H3,(H,24,27).
What are the key properties of methyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate?
methyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate has a molecular weight of 449.49 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate is sourced from PubChem (CID 2673547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).