2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-2-ylacetamide

C26H18FN3O2S — CID 3999757

IUPAC2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-2-ylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)Nc1ccc2ccccc2c1
InChIInChI=1S/C26H18FN3O2S/c27-21-10-4-6-12-23(21)30-25(32)20-9-3-5-11-22(20)29-26(30)33-16-24(31)28-19-14-13-17-7-1-2-8-18(17)15-19/h1-15H,16H2,(H,28,31)
InChIKeyCCKPFCWSKCMUST-UHFFFAOYSA-N
MW455.51 g/mol
LogP5.41
Rot. Bonds5

About 2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-2-ylacetamide

2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-2-ylacetamide (PubChem CID 3999757) has the molecular formula C26H18FN3O2S and a molecular weight of 455.51 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-2-ylacetamide
PubChem CID3999757
Molecular FormulaC26H18FN3O2S
Molecular Weight455.51 g/mol
Exact Mass455.11
IUPAC Name2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-2-ylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)Nc1ccc2ccccc2c1
InChIInChI=1S/C26H18FN3O2S/c27-21-10-4-6-12-23(21)30-25(32)20-9-3-5-11-22(20)29-26(30)33-16-24(31)28-19-14-13-17-7-1-2-8-18(17)15-19/h1-15H,16H2,(H,28,31)
InChIKeyCCKPFCWSKCMUST-UHFFFAOYSA-N
XLogP5.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.51
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-naphthalen-2-yl-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4666942
N-(4-cyanophenyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16532541
N-(4-chloro-3-nitrophenyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3954667
2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 23795484
N-(4-chlorophenyl)-2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4680018
N-(2,6-dimethylphenyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16532517
2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-iodophenyl)acetamide
CID 23935266
N-ethyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2696020
2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 23960163
2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenoxyphenyl)acetamide
CID 23991945
2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 16532181
N-(3,4-dichlorophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 23855223

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-2-ylacetamide (CID 3999757) is 2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-2-ylacetamide is O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-2-ylacetamide?
The InChIKey is CCKPFCWSKCMUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN3O2S/c27-21-10-4-6-12-23(21)30-25(32)20-9-3-5-11-22(20)29-26(30)33-16-24(31)28-19-14-13-17-7-1-2-8-18(17)15-19/h1-15H,16H2,(H,28,31).
What are the key properties of 2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-2-ylacetamide?
2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-2-ylacetamide has a molecular weight of 455.51 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 3999757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).