2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide

C23H21N3O3S — CID 2366752

IUPAC2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCc1cc(C)cc(-n2c(SCC(=O)NCc3ccco3)nc3ccccc3c2=O)c1
InChIInChI=1S/C23H21N3O3S/c1-15-10-16(2)12-17(11-15)26-22(28)19-7-3-4-8-20(19)25-23(26)30-14-21(27)24-13-18-6-5-9-29-18/h3-12H,13-14H2,1-2H3,(H,24,27)
InChIKeyKMFKFZXHPQEOKT-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.00
Rot. Bonds6

About 2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide

2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 2366752) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID2366752
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCc1cc(C)cc(-n2c(SCC(=O)NCc3ccco3)nc3ccccc3c2=O)c1
InChIInChI=1S/C23H21N3O3S/c1-15-10-16(2)12-17(11-15)26-22(28)19-7-3-4-8-20(19)25-23(26)30-14-21(27)24-13-18-6-5-9-29-18/h3-12H,13-14H2,1-2H3,(H,24,27)
InChIKeyKMFKFZXHPQEOKT-UHFFFAOYSA-N
XLogP4.00
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide with MolForge

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Related Compounds

3-(2-Furylmethyl)-2-(mesitylimino)-1,3-thiazolan-4-one
CID 557424
2-Allylsulfanyl-3-furan-2-ylmethyl-3H-quinazolin-4-one
CID 331177
2-[[anilino(oxo)methyl]amino]-N-(2-furanylmethyl)benzamide
CID 893563
2-benzamido-N-(furan-2-ylmethyl)benzamide
CID 1848423
7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 2939982
Ethyl [(3-{6-[(2-furylmethyl)amino]-6-oxohexyl}-4-oxo-3,4-dihydroquinazolin-2-yl)thio]acetate
CID 3245433
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-furylmethyl)cyclohexanecarboxamide
CID 645163
CID 9894278
CID 9894278
2-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]butyl]-3-(furan-2-ylmethyl)quinazolin-4-one
CID 147256078
N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-(3-furan-2-ylmethyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetamide
CID 644403
N-Furan-2-ylmethyl-2-(4-oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetamide
CID 644437
N-Furan-2-ylmethyl-2-(4-oxo-2-piperidin-1-ylmethyl-4H-quinazolin-3-yl)-acetamide
CID 644713

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 2366752) is 2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide is Cc1cc(C)cc(-n2c(SCC(=O)NCc3ccco3)nc3ccccc3c2=O)c1.
What is the InChIKey of 2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is KMFKFZXHPQEOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-15-10-16(2)12-17(11-15)26-22(28)19-7-3-4-8-20(19)25-23(26)30-14-21(27)24-13-18-6-5-9-29-18/h3-12H,13-14H2,1-2H3,(H,24,27).
What are the key properties of 2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 419.51 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 2366752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).