N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N,2,4,6-tetramethylbenzenesulfonamide

C28H31N3O4S — CID 3924747

IUPACN-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N,2,4,6-tetramethylbenzenesulfonamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(C)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C28H31N3O4S/c1-7-23(30(5)36(33,34)26-19(3)16-18(2)17-20(26)4)27-29-22-13-9-8-12-21(22)28(32)31(27)24-14-10-11-15-25(24)35-6/h8-17,23H,7H2,1-6H3
InChIKeyPESGGSSQVVVIII-UHFFFAOYSA-N
MW505.64 g/mol
LogP5.09
Rot. Bonds7

About N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N,2,4,6-tetramethylbenzenesulfonamide

N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N,2,4,6-tetramethylbenzenesulfonamide (PubChem CID 3924747) has the molecular formula C28H31N3O4S and a molecular weight of 505.64 g/mol. Its IUPAC name is N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N,2,4,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N,2,4,6-tetramethylbenzenesulfonamide
PubChem CID3924747
Molecular FormulaC28H31N3O4S
Molecular Weight505.64 g/mol
Exact Mass505.20
IUPAC NameN-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N,2,4,6-tetramethylbenzenesulfonamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(C)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C28H31N3O4S/c1-7-23(30(5)36(33,34)26-19(3)16-18(2)17-20(26)4)27-29-22-13-9-8-12-21(22)28(32)31(27)24-14-10-11-15-25(24)35-6/h8-17,23H,7H2,1-6H3
InChIKeyPESGGSSQVVVIII-UHFFFAOYSA-N
XLogP5.09
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.64
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N,2,4,6-tetramethylbenzenesulfonamide with MolForge

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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-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-propylbenzamide
CID 42723055
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-propylbenzamide
CID 42723052
4-methoxy-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzenesulfonamide
CID 42720890
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-sulfonamide
CID 42720888
3-(2,4-dimethoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea
CID 42722811
2-chloro-N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42723020
N-ethyl-4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42723018
2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 769883
3-(2,6-dimethylphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-methylpropyl)urea
CID 42723153
4-tert-butyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzenesulfonamide
CID 10196000
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 N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N,2,4,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N,2,4,6-tetramethylbenzenesulfonamide (CID 3924747) is N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N,2,4,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N,2,4,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N,2,4,6-tetramethylbenzenesulfonamide is CCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(C)S(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N,2,4,6-tetramethylbenzenesulfonamide?
The InChIKey is PESGGSSQVVVIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4S/c1-7-23(30(5)36(33,34)26-19(3)16-18(2)17-20(26)4)27-29-22-13-9-8-12-21(22)28(32)31(27)24-14-10-11-15-25(24)35-6/h8-17,23H,7H2,1-6H3.
What are the key properties of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N,2,4,6-tetramethylbenzenesulfonamide?
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N,2,4,6-tetramethylbenzenesulfonamide has a molecular weight of 505.64 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N,2,4,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 3924747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).