N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluoro-N-methylbenzenesulfonamide

C26H26FN3O3S — CID 4016361

IUPACN-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCCc1ccc(-n2c(C(CC)N(C)S(=O)(=O)c3ccc(F)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C26H26FN3O3S/c1-4-18-10-14-20(15-11-18)30-25(28-23-9-7-6-8-22(23)26(30)31)24(5-2)29(3)34(32,33)21-16-12-19(27)13-17-21/h6-17,24H,4-5H2,1-3H3
InChIKeyKFVFGUHWKRUAAJ-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.86
Rot. Bonds7

About N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluoro-N-methylbenzenesulfonamide

N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 4016361) has the molecular formula C26H26FN3O3S and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluoro-N-methylbenzenesulfonamide
PubChem CID4016361
Molecular FormulaC26H26FN3O3S
Molecular Weight479.58 g/mol
Exact Mass479.17
IUPAC NameN-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCCc1ccc(-n2c(C(CC)N(C)S(=O)(=O)c3ccc(F)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C26H26FN3O3S/c1-4-18-10-14-20(15-11-18)30-25(28-23-9-7-6-8-22(23)26(30)31)24(5-2)29(3)34(32,33)21-16-12-19(27)13-17-21/h6-17,24H,4-5H2,1-3H3
InChIKeyKFVFGUHWKRUAAJ-UHFFFAOYSA-N
XLogP4.86
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylbenzenesulfonamide
CID 42723013
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-4-methoxy-N-methylbenzenesulfonamide
CID 42719807
N-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluorobenzamide
CID 5223620
4-fluoro-N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbenzenesulfonamide
CID 3572587
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluoro-N-(3-methoxypropyl)benzenesulfonamide
CID 46116829
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)benzenesulfonamide
CID 3392926
N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide
CID 42722923
4-fluoro-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylbenzamide
CID 42719202
2-chloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylacetamide
CID 42722682
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 42718827
N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-4-phenylbenzenesulfonamide
CID 66689029
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-(2-phenylethyl)propanamide
CID 3951854

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluoro-N-methylbenzenesulfonamide (CID 4016361) is N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluoro-N-methylbenzenesulfonamide is CCc1ccc(-n2c(C(CC)N(C)S(=O)(=O)c3ccc(F)cc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is KFVFGUHWKRUAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O3S/c1-4-18-10-14-20(15-11-18)30-25(28-23-9-7-6-8-22(23)26(30)31)24(5-2)29(3)34(32,33)21-16-12-19(27)13-17-21/h6-17,24H,4-5H2,1-3H3.
What are the key properties of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluoro-N-methylbenzenesulfonamide?
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 479.58 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 4016361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).