N-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-4-methoxybenzamide

C23H18FN3O3S — CID 3574138

IUPACN-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nn2c(SCc3cccc(F)c3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C23H18FN3O3S/c1-30-18-11-9-16(10-12-18)21(28)26-27-22(29)19-7-2-3-8-20(19)25-23(27)31-14-15-5-4-6-17(24)13-15/h2-13H,14H2,1H3,(H,26,28)
InChIKeyZGNWXZSGPUJDDL-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.22
Rot. Bonds6

About N-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-4-methoxybenzamide

N-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-4-methoxybenzamide (PubChem CID 3574138) has the molecular formula C23H18FN3O3S and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-4-methoxybenzamide
PubChem CID3574138
Molecular FormulaC23H18FN3O3S
Molecular Weight435.48 g/mol
Exact Mass435.11
IUPAC NameN-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nn2c(SCc3cccc(F)c3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C23H18FN3O3S/c1-30-18-11-9-16(10-12-18)21(28)26-27-22(29)19-7-2-3-8-20(19)25-23(27)31-14-15-5-4-6-17(24)13-15/h2-13H,14H2,1H3,(H,26,28)
InChIKeyZGNWXZSGPUJDDL-UHFFFAOYSA-N
XLogP4.22
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-4-methoxybenzamide
CID 2202336
4-methoxy-N-[4-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylquinazolin-3-yl]benzamide
CID 2202378
N-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]benzamide
CID 3656403
N-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-4-fluorobenzamide
CID 3580564
2-[(3-fluorophenyl)methylsulfanyl]-3-[(3-methoxyphenyl)methyl]quinazolin-4-one
CID 51365392
4-methoxy-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide
CID 23797785
methyl 3-[(3-ethyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzoate
CID 7876216
2-[(3-fluorophenyl)methylsulfanyl]-3-methyl-4-oxoquinazoline-7-carboxylic acid
CID 45450700
3-(3-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 8921562
N-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzamide
CID 5061258
N-[2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 4186213
3-(3,5-dimethoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 51365311

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-4-methoxybenzamide (CID 3574138) is N-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nn2c(SCc3cccc(F)c3)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-4-methoxybenzamide?
The InChIKey is ZGNWXZSGPUJDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3S/c1-30-18-11-9-16(10-12-18)21(28)26-27-22(29)19-7-2-3-8-20(19)25-23(27)31-14-15-5-4-6-17(24)13-15/h2-13H,14H2,1H3,(H,26,28).
What are the key properties of N-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-4-methoxybenzamide?
N-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-4-methoxybenzamide has a molecular weight of 435.48 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 3574138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).