(2R)-2-(4-fluorophenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C22H17FN4O2S — CID 41399900

IUPAC(2R)-2-(4-fluorophenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2c(S[C@@H](C(N)=O)c3ccc(F)cc3)nc3ccccc3c2=O)nc1
InChIInChI=1S/C22H17FN4O2S/c1-13-6-11-18(25-12-13)27-21(29)16-4-2-3-5-17(16)26-22(27)30-19(20(24)28)14-7-9-15(23)10-8-14/h2-12,19H,1H3,(H2,24,28)/t19-/m1/s1
InChIKeyDMTWBEJKUWPQHK-LJQANCHMSA-N
MW420.47 g/mol
LogP3.55
Rot. Bonds5

About (2R)-2-(4-fluorophenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

(2R)-2-(4-fluorophenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 41399900) has the molecular formula C22H17FN4O2S and a molecular weight of 420.47 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID41399900
Molecular FormulaC22H17FN4O2S
Molecular Weight420.47 g/mol
Exact Mass420.11
IUPAC Name(2R)-2-(4-fluorophenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2c(S[C@@H](C(N)=O)c3ccc(F)cc3)nc3ccccc3c2=O)nc1
InChIInChI=1S/C22H17FN4O2S/c1-13-6-11-18(25-12-13)27-21(29)16-4-2-3-5-17(16)26-22(27)30-19(20(24)28)14-7-9-15(23)10-8-14/h2-12,19H,1H3,(H2,24,28)/t19-/m1/s1
InChIKeyDMTWBEJKUWPQHK-LJQANCHMSA-N
XLogP3.55
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-(4-fluorophenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide with MolForge

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Related Compounds

(2S)-2-(4-fluorophenyl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 41399846
(2R)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 40584034
2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 16601141
2-(2-hydroxyethylsulfanyl)-3-(5-methyl-2-pyridinyl)quinazolin-4-one
CID 42895290
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one
CID 17404225
4-[[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
CID 27592797
N-[(2S)-butan-2-yl]-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 40583990
2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 46690378
methyl 5-[1-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylethyl]furan-2-carboxylate
CID 47026133
(2S)-N-(2-acetylphenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 27947547
2-[(2S)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one
CID 30338506
3-(5-methyl-2-pyridinyl)-2-(phenanthridin-6-ylmethylsulfanyl)quinazolin-4-one
CID 46821916

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of (2R)-2-(4-fluorophenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 41399900) is (2R)-2-(4-fluorophenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is Cc1ccc(-n2c(S[C@@H](C(N)=O)c3ccc(F)cc3)nc3ccccc3c2=O)nc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is DMTWBEJKUWPQHK-LJQANCHMSA-N. The full InChI is InChI=1S/C22H17FN4O2S/c1-13-6-11-18(25-12-13)27-21(29)16-4-2-3-5-17(16)26-22(27)30-19(20(24)28)14-7-9-15(23)10-8-14/h2-12,19H,1H3,(H2,24,28)/t19-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
(2R)-2-(4-fluorophenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 420.47 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 41399900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).