2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide

C21H16FN3O3S — CID 2379552

IUPAC2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)NCc1ccco1
InChIInChI=1S/C21H16FN3O3S/c22-14-7-9-15(10-8-14)25-20(27)17-5-1-2-6-18(17)24-21(25)29-13-19(26)23-12-16-4-3-11-28-16/h1-11H,12-13H2,(H,23,26)
InChIKeyJHAZAZNMFSQHBK-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.53
Rot. Bonds6

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

2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 2379552) has the molecular formula C21H16FN3O3S and a molecular weight of 409.44 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID2379552
Molecular FormulaC21H16FN3O3S
Molecular Weight409.44 g/mol
Exact Mass409.09
IUPAC Name2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)NCc1ccco1
InChIInChI=1S/C21H16FN3O3S/c22-14-7-9-15(10-8-14)25-20(27)17-5-1-2-6-18(17)24-21(25)29-13-19(26)23-12-16-4-3-11-28-16/h1-11H,12-13H2,(H,23,26)
InChIKeyJHAZAZNMFSQHBK-UHFFFAOYSA-N
XLogP3.53
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-fluorophenoxy)cyclohexyl]-3-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136249378
3-(2-Furanylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 2928530
2-{5-[(4-fluorobenzyl)thio]-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl}-N-(2-furylmethyl)acetamide
CID 3243352
2-Furan-2-yl-3-phenethyl-3H-quinazolin-4-one
CID 683379
2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide
CID 3936405
N-[2-(difluoromethoxy)phenyl]-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3957854
2-Allylsulfanyl-3-furan-2-ylmethyl-3H-quinazolin-4-one
CID 331177
3-(Furan-2-ylmethyl)quinazolin-4-one
CID 332456
3-Benzyl-2-(2-furyl)-3,4-dihydro-4-quinazolinone
CID 563918
2-[(cyclohexylcarbamoyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 665349
2-[[anilino(oxo)methyl]amino]-N-(2-furanylmethyl)benzamide
CID 893563
N-(furan-2-ylmethyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 1843541

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 2379552) is 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide is O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)NCc1ccco1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is JHAZAZNMFSQHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3S/c22-14-7-9-15(10-8-14)25-20(27)17-5-1-2-6-18(17)24-21(25)29-13-19(26)23-12-16-4-3-11-28-16/h1-11H,12-13H2,(H,23,26).
What are the key properties of 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 409.44 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 2379552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).