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

C24H18FN3O4S — CID 2202336

IUPACN-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nn2c(SCC(=O)c3ccc(F)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C24H18FN3O4S/c1-32-18-12-8-16(9-13-18)22(30)27-28-23(31)19-4-2-3-5-20(19)26-24(28)33-14-21(29)15-6-10-17(25)11-7-15/h2-13H,14H2,1H3,(H,27,30)
InChIKeyQXXHFXREBUYDFL-UHFFFAOYSA-N
MW463.49 g/mol
LogP3.90
Rot. Bonds7

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

N-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-4-methoxybenzamide (PubChem CID 2202336) has the molecular formula C24H18FN3O4S and a molecular weight of 463.49 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-4-methoxybenzamide
PubChem CID2202336
Molecular FormulaC24H18FN3O4S
Molecular Weight463.49 g/mol
Exact Mass463.10
IUPAC NameN-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nn2c(SCC(=O)c3ccc(F)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C24H18FN3O4S/c1-32-18-12-8-16(9-13-18)22(30)27-28-23(31)19-4-2-3-5-20(19)26-24(28)33-14-21(29)15-6-10-17(25)11-7-15/h2-13H,14H2,1H3,(H,27,30)
InChIKeyQXXHFXREBUYDFL-UHFFFAOYSA-N
XLogP3.90
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-4-methoxybenzamide
CID 3574138
N-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-4-fluorobenzamide
CID 3580564
4-methoxy-N-[4-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylquinazolin-3-yl]benzamide
CID 2202378
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-[(2S)-1-methoxypropan-2-yl]quinazolin-4-one
CID 2700658
4-methoxy-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide
CID 23797785
N-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzamide
CID 5061258
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-(3-methylbutyl)quinazolin-4-one
CID 7465822
3-methyl-2-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylquinazolin-4-one
CID 38834210
3-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-oxo-N-propan-2-ylquinazoline-7-carboxamide
CID 46284617
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-(4-propan-2-ylphenyl)quinazolin-4-one
CID 2360521
N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23932693
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 46284288

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-4-methoxybenzamide (CID 2202336) is N-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nn2c(SCC(=O)c3ccc(F)cc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-4-methoxybenzamide?
The InChIKey is QXXHFXREBUYDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O4S/c1-32-18-12-8-16(9-13-18)22(30)27-28-23(31)19-4-2-3-5-20(19)26-24(28)33-14-21(29)15-6-10-17(25)11-7-15/h2-13H,14H2,1H3,(H,27,30).
What are the key properties of N-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-4-methoxybenzamide?
N-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-4-methoxybenzamide has a molecular weight of 463.49 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 2202336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).