2-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-6-methoxybenzoic acid

C21H20ClN3O6S — CID 155235436

IUPAC2-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-6-methoxybenzoic acid
SMILESCOc1cccc(Nc2c(S(=O)(=O)N3CCOCC3)cnc3ccc(Cl)cc23)c1C(=O)O
InChIInChI=1S/C21H20ClN3O6S/c1-30-17-4-2-3-16(19(17)21(26)27)24-20-14-11-13(22)5-6-15(14)23-12-18(20)32(28,29)25-7-9-31-10-8-25/h2-6,11-12H,7-10H2,1H3,(H,23,24)(H,26,27)
InChIKeyWOZTXMVUOSIYIJ-UHFFFAOYSA-N
MW477.93 g/mol
LogP3.36
Rot. Bonds6

About 2-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-6-methoxybenzoic acid

2-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-6-methoxybenzoic acid (PubChem CID 155235436) has the molecular formula C21H20ClN3O6S and a molecular weight of 477.93 g/mol. Its IUPAC name is 2-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-6-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-6-methoxybenzoic acid
PubChem CID155235436
Molecular FormulaC21H20ClN3O6S
Molecular Weight477.93 g/mol
Exact Mass477.08
IUPAC Name2-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-6-methoxybenzoic acid
SMILESCOc1cccc(Nc2c(S(=O)(=O)N3CCOCC3)cnc3ccc(Cl)cc23)c1C(=O)O
InChIInChI=1S/C21H20ClN3O6S/c1-30-17-4-2-3-16(19(17)21(26)27)24-20-14-11-13(22)5-6-15(14)23-12-18(20)32(28,29)25-7-9-31-10-8-25/h2-6,11-12H,7-10H2,1H3,(H,23,24)(H,26,27)
InChIKeyWOZTXMVUOSIYIJ-UHFFFAOYSA-N
XLogP3.36
TPSA118.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.93
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-3-propylbenzoic acid
CID 172550818
2-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
CID 171781277
3-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-5-sulfamoylbenzoic acid
CID 172550822
3-[(6-bromo-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-1-oxidopyridin-1-ium-2-carboxylic acid
CID 164934864
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
[6-chloro-4-(5-chloro-2,4-dimethoxyanilino)quinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53001764
2-[[6-bromo-3-(1,3-oxazol-2-yl)quinolin-4-yl]amino]-6-methoxybenzoic acid
CID 155235413
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 30147094
3-(5-chloro-2-methoxyphenyl)sulfonyl-1,3-oxazolidine
CID 110740103
[6-chloro-4-[(3,4-dimethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53333943
N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 46458104
2-(3-chloro-2-methylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26417504

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-6-methoxybenzoic acid?
The IUPAC name of 2-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-6-methoxybenzoic acid (CID 155235436) is 2-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-6-methoxybenzoic acid.
What is the SMILES notation for 2-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-6-methoxybenzoic acid?
The canonical SMILES for 2-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-6-methoxybenzoic acid is COc1cccc(Nc2c(S(=O)(=O)N3CCOCC3)cnc3ccc(Cl)cc23)c1C(=O)O.
What is the InChIKey of 2-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-6-methoxybenzoic acid?
The InChIKey is WOZTXMVUOSIYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O6S/c1-30-17-4-2-3-16(19(17)21(26)27)24-20-14-11-13(22)5-6-15(14)23-12-18(20)32(28,29)25-7-9-31-10-8-25/h2-6,11-12H,7-10H2,1H3,(H,23,24)(H,26,27).
What are the key properties of 2-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-6-methoxybenzoic acid?
2-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-6-methoxybenzoic acid has a molecular weight of 477.93 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-6-methoxybenzoic acid is sourced from PubChem (CID 155235436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).