3,5-dichloro-N-[2-methoxy-5-[3-(2-methyl-3-oxobutyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]benzenesulfonamide

C25H22Cl2N4O5S — CID 163718375

IUPAC3,5-dichloro-N-[2-methoxy-5-[3-(2-methyl-3-oxobutyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3ncn(CC(C)C(C)=O)c(=O)c3c2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C25H22Cl2N4O5S/c1-14(15(2)32)12-31-13-29-22-5-4-16(6-21(22)25(31)33)17-7-23(24(36-3)28-11-17)30-37(34,35)20-9-18(26)8-19(27)10-20/h4-11,13-14,30H,12H2,1-3H3
InChIKeyKPIJMYASVKCQID-UHFFFAOYSA-N
MW561.45 g/mol
LogP4.80
Rot. Bonds8

About 3,5-dichloro-N-[2-methoxy-5-[3-(2-methyl-3-oxobutyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]benzenesulfonamide

3,5-dichloro-N-[2-methoxy-5-[3-(2-methyl-3-oxobutyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 163718375) has the molecular formula C25H22Cl2N4O5S and a molecular weight of 561.45 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-methoxy-5-[3-(2-methyl-3-oxobutyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-methoxy-5-[3-(2-methyl-3-oxobutyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID163718375
Molecular FormulaC25H22Cl2N4O5S
Molecular Weight561.45 g/mol
Exact Mass560.07
IUPAC Name3,5-dichloro-N-[2-methoxy-5-[3-(2-methyl-3-oxobutyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3ncn(CC(C)C(C)=O)c(=O)c3c2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C25H22Cl2N4O5S/c1-14(15(2)32)12-31-13-29-22-5-4-16(6-21(22)25(31)33)17-7-23(24(36-3)28-11-17)30-37(34,35)20-9-18(26)8-19(27)10-20/h4-11,13-14,30H,12H2,1-3H3
InChIKeyKPIJMYASVKCQID-UHFFFAOYSA-N
XLogP4.80
TPSA120.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.45
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3,5-dichloro-N-[2-methoxy-5-[3-(2-methyl-3-oxobutyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-[6-[5-[(4-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 152962309
(2S)-3-[6-[5-[(3,4-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 152999621
(2S)-3-[6-[5-[(3-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 148912159
(2S)-3-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 152946077
3-[6-[5-[(2,6-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 146867894
3-[6-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 147417886
(2R)-3-[6-[5-[(3-cyano-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 147580701
(2S)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N-cyclobutyl-2-methylpropanamide
CID 147310605
3-[6-[5-[(2,3-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 153048357
(2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 147547884
(2R)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(3,5-dimethylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 159543791
3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-hydroxy-N-methylpropanamide
CID 149314954

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-methoxy-5-[3-(2-methyl-3-oxobutyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[2-methoxy-5-[3-(2-methyl-3-oxobutyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]benzenesulfonamide (CID 163718375) is 3,5-dichloro-N-[2-methoxy-5-[3-(2-methyl-3-oxobutyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[2-methoxy-5-[3-(2-methyl-3-oxobutyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[2-methoxy-5-[3-(2-methyl-3-oxobutyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2ccc3ncn(CC(C)C(C)=O)c(=O)c3c2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[2-methoxy-5-[3-(2-methyl-3-oxobutyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is KPIJMYASVKCQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N4O5S/c1-14(15(2)32)12-31-13-29-22-5-4-16(6-21(22)25(31)33)17-7-23(24(36-3)28-11-17)30-37(34,35)20-9-18(26)8-19(27)10-20/h4-11,13-14,30H,12H2,1-3H3.
What are the key properties of 3,5-dichloro-N-[2-methoxy-5-[3-(2-methyl-3-oxobutyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]benzenesulfonamide?
3,5-dichloro-N-[2-methoxy-5-[3-(2-methyl-3-oxobutyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 561.45 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-methoxy-5-[3-(2-methyl-3-oxobutyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 163718375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).