3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide

C25H20ClF4N5O4S — CID 152818126

IUPAC3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)Cn1cnc2ccc(-c3cnc(C(F)(F)F)c(NS(=O)(=O)c4ccc(F)cc4Cl)c3)cc2c1=O
InChIInChI=1S/C25H20ClF4N5O4S/c1-13(23(36)31-2)11-35-12-33-19-5-3-14(7-17(19)24(35)37)15-8-20(22(32-10-15)25(28,29)30)34-40(38,39)21-6-4-16(27)9-18(21)26/h3-10,12-13,34H,11H2,1-2H3,(H,31,36)
InChIKeySSZAEMASOREQHF-UHFFFAOYSA-N
MW597.98 g/mol
LogP4.45
Rot. Bonds7

About 3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide

3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide (PubChem CID 152818126) has the molecular formula C25H20ClF4N5O4S and a molecular weight of 597.98 g/mol. Its IUPAC name is 3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
PubChem CID152818126
Molecular FormulaC25H20ClF4N5O4S
Molecular Weight597.98 g/mol
Exact Mass597.09
IUPAC Name3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)Cn1cnc2ccc(-c3cnc(C(F)(F)F)c(NS(=O)(=O)c4ccc(F)cc4Cl)c3)cc2c1=O
InChIInChI=1S/C25H20ClF4N5O4S/c1-13(23(36)31-2)11-35-12-33-19-5-3-14(7-17(19)24(35)37)15-8-20(22(32-10-15)25(28,29)30)34-40(38,39)21-6-4-16(27)9-18(21)26/h3-10,12-13,34H,11H2,1-2H3,(H,31,36)
InChIKeySSZAEMASOREQHF-UHFFFAOYSA-N
XLogP4.45
TPSA123.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.98
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide 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

5-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 162665982
(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-ethyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 146865035
(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxypyridin-3-yl]-4-oxoquinazolin-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 147033251
(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N-(2-fluoroethyl)-2-methylpropanamide
CID 147316519
(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 147330112
(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 147496436
(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(dimethylamino)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 147578457
(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N-ethyl-2-methylpropanamide
CID 148417584
(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-(2-methylpropyl)propanamide
CID 148454950
PI3Kalpha-IN-4
CID 154573770
(S)-PI3Kalpha-IN-4
CID 155129768
3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(trifluoromethoxy)pyridin-3-yl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 155129793

Frequently Asked Questions

What is the IUPAC name of 3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
The IUPAC name of 3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide (CID 152818126) is 3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide is CNC(=O)C(C)Cn1cnc2ccc(-c3cnc(C(F)(F)F)c(NS(=O)(=O)c4ccc(F)cc4Cl)c3)cc2c1=O.
What is the InChIKey of 3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
The InChIKey is SSZAEMASOREQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF4N5O4S/c1-13(23(36)31-2)11-35-12-33-19-5-3-14(7-17(19)24(35)37)15-8-20(22(32-10-15)25(28,29)30)34-40(38,39)21-6-4-16(27)9-18(21)26/h3-10,12-13,34H,11H2,1-2H3,(H,31,36).
What are the key properties of 3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide has a molecular weight of 597.98 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 152818126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).