(2R)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide

C18H16FN3O2S — CID 2618889

IUPAC(2R)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
SMILESC[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C18H16FN3O2S/c1-11(16(20)23)25-18-21-15-5-3-2-4-14(15)17(24)22(18)10-12-6-8-13(19)9-7-12/h2-9,11H,10H2,1H3,(H2,20,23)/t11-/m1/s1
InChIKeyOUAALWNEFHFHJU-LLVKDONJSA-N
MW357.41 g/mol
LogP2.55
Rot. Bonds5

About (2R)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide

(2R)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide (PubChem CID 2618889) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is (2R)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
PubChem CID2618889
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name(2R)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
SMILESC[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C18H16FN3O2S/c1-11(16(20)23)25-18-21-15-5-3-2-4-14(15)17(24)22(18)10-12-6-8-13(19)9-7-12/h2-9,11H,10H2,1H3,(H2,20,23)/t11-/m1/s1
InChIKeyOUAALWNEFHFHJU-LLVKDONJSA-N
XLogP2.55
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7235274
(2S)-N-(ethylcarbamoyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2639630
3-benzyl-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one
CID 5131440
ethyl 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoate
CID 2946564
ethyl (2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoate
CID 1414598
2-ethylsulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one
CID 2086040
3-ethyl-2-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 7876084
2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 2086713
3-benzyl-2-[(2S)-1-oxo-1-(4-propylphenyl)propan-2-yl]sulfanylquinazolin-4-one
CID 2402566
ethyl 2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetate
CID 2618905
(2S)-2-[3-[2-[di(propan-2-yl)amino]ethyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7823907
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 112780256

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The IUPAC name of (2R)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide (CID 2618889) is (2R)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide.
What is the SMILES notation for (2R)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The canonical SMILES for (2R)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide is C[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)C(N)=O.
What is the InChIKey of (2R)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The InChIKey is OUAALWNEFHFHJU-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-11(16(20)23)25-18-21-15-5-3-2-4-14(15)17(24)22(18)10-12-6-8-13(19)9-7-12/h2-9,11H,10H2,1H3,(H2,20,23)/t11-/m1/s1.
What are the key properties of (2R)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide?
(2R)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide has a molecular weight of 357.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide is sourced from PubChem (CID 2618889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).