propan-2-yl 2-[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetate

C19H16F2N2O2S — CID 1167945

IUPACpropan-2-yl 2-[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetate
SMILESCC(C)OC(=O)CSc1nc(-c2ccc(F)cc2)nc2ccc(F)cc12
InChIInChI=1S/C19H16F2N2O2S/c1-11(2)25-17(24)10-26-19-15-9-14(21)7-8-16(15)22-18(23-19)12-3-5-13(20)6-4-12/h3-9,11H,10H2,1-2H3
InChIKeyRFWFCGZFCNFMDR-UHFFFAOYSA-N
MW374.41 g/mol
LogP4.62
Rot. Bonds5

About propan-2-yl 2-[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetate

propan-2-yl 2-[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetate (PubChem CID 1167945) has the molecular formula C19H16F2N2O2S and a molecular weight of 374.41 g/mol. Its IUPAC name is propan-2-yl 2-[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetate.

Molecular Properties

Compound Namepropan-2-yl 2-[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetate
PubChem CID1167945
Molecular FormulaC19H16F2N2O2S
Molecular Weight374.41 g/mol
Exact Mass374.09
IUPAC Namepropan-2-yl 2-[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetate
SMILESCC(C)OC(=O)CSc1nc(-c2ccc(F)cc2)nc2ccc(F)cc12
InChIInChI=1S/C19H16F2N2O2S/c1-11(2)25-17(24)10-26-19-15-9-14(21)7-8-16(15)22-18(23-19)12-3-5-13(20)6-4-12/h3-9,11H,10H2,1-2H3
InChIKeyRFWFCGZFCNFMDR-UHFFFAOYSA-N
XLogP4.62
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-Fluoro-2-phenylquinazolin-4-yl)sulfanylethanol
CID 3167738
2-(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-N-m-tolyl-acetamide
CID 856981
Propan-2-yl 2-(2-benzylquinazolin-4-yl)sulfanylacetate
CID 1442567
1-(4-Fluorophenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone
CID 1442866
(2-Phenyl-quinazolin-4-ylsulfanyl)-acetonitrile
CID 3141919
3-(2-Methylquinazolin-4-yl)sulfanylpropanoic acid
CID 588806
(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-acetic acid ethyl ester
CID 644454
(2-Isopropyl-quinazolin-4-ylsulfanyl)-acetic acid methyl ester
CID 652110
(2-Ethyl-quinazolin-4-ylsulfanyl)-acetic acid ethyl ester
CID 654420
Methyl [(2-phenylquinazolin-4-yl)sulfanyl]acetate
CID 865071
(6-Fluoro-2-phenyl-quinazolin-4-ylsulfanyl)-acetic acid methyl ester
CID 865077
(6-Fluoro-2-phenyl-quinazolin-4-ylsulfanyl)-acetic acid ethyl ester
CID 865078

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetate?
The IUPAC name of propan-2-yl 2-[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetate (CID 1167945) is propan-2-yl 2-[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetate.
What is the SMILES notation for propan-2-yl 2-[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetate?
The canonical SMILES for propan-2-yl 2-[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetate is CC(C)OC(=O)CSc1nc(-c2ccc(F)cc2)nc2ccc(F)cc12.
What is the InChIKey of propan-2-yl 2-[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetate?
The InChIKey is RFWFCGZFCNFMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2S/c1-11(2)25-17(24)10-26-19-15-9-14(21)7-8-16(15)22-18(23-19)12-3-5-13(20)6-4-12/h3-9,11H,10H2,1-2H3.
What are the key properties of propan-2-yl 2-[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetate?
propan-2-yl 2-[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetate has a molecular weight of 374.41 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetate is sourced from PubChem (CID 1167945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).