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

C25H24FN3O4S — CID 42723013

IUPAC4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylbenzenesulfonamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C25H24FN3O4S/c1-4-21(28(2)34(31,32)18-15-13-17(26)14-16-18)24-27-20-10-6-5-9-19(20)25(30)29(24)22-11-7-8-12-23(22)33-3/h5-16,21H,4H2,1-3H3
InChIKeyINULJVDHBSKMNA-UHFFFAOYSA-N
MW481.55 g/mol
LogP4.31
Rot. Bonds7

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

4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylbenzenesulfonamide (PubChem CID 42723013) has the molecular formula C25H24FN3O4S and a molecular weight of 481.55 g/mol. Its IUPAC name is 4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylbenzenesulfonamide
PubChem CID42723013
Molecular FormulaC25H24FN3O4S
Molecular Weight481.55 g/mol
Exact Mass481.15
IUPAC Name4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylbenzenesulfonamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C25H24FN3O4S/c1-4-21(28(2)34(31,32)18-15-13-17(26)14-16-18)24-27-20-10-6-5-9-19(20)25(30)29(24)22-11-7-8-12-23(22)33-3/h5-16,21H,4H2,1-3H3
InChIKeyINULJVDHBSKMNA-UHFFFAOYSA-N
XLogP4.31
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N,2,4,6-tetramethylbenzenesulfonamide
CID 3924747
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluoro-N-methylbenzenesulfonamide
CID 4016361
4-methoxy-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzenesulfonamide
CID 42720890
N-ethyl-4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42723018
4-tert-butyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzenesulfonamide
CID 10196000
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-4-methoxy-N-methylbenzenesulfonamide
CID 42719807
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-sulfonamide
CID 42720888
4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbenzamide
CID 42723520
2-chloro-N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42723020
2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 769883
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-propylbenzamide
CID 42723055
N,4-diethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42723044

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylbenzenesulfonamide (CID 42723013) is 4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylbenzenesulfonamide is CCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylbenzenesulfonamide?
The InChIKey is INULJVDHBSKMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O4S/c1-4-21(28(2)34(31,32)18-15-13-17(26)14-16-18)24-27-20-10-6-5-9-19(20)25(30)29(24)22-11-7-8-12-23(22)33-3/h5-16,21H,4H2,1-3H3.
What are the key properties of 4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylbenzenesulfonamide?
4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylbenzenesulfonamide has a molecular weight of 481.55 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 42723013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).