2-(3-chlorophenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid

C20H17ClN2O5S — CID 3618004

IUPAC2-(3-chlorophenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(Cl)c2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C20H17ClN2O5S/c21-14-3-1-2-13(10-14)19-12-17(20(24)25)16-11-15(4-5-18(16)22-19)29(26,27)23-6-8-28-9-7-23/h1-5,10-12H,6-9H2,(H,24,25)
InChIKeyVAPNFGKEEIITFE-UHFFFAOYSA-N
MW432.89 g/mol
LogP3.27
Rot. Bonds4

About 2-(3-chlorophenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid

2-(3-chlorophenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid (PubChem CID 3618004) has the molecular formula C20H17ClN2O5S and a molecular weight of 432.89 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
PubChem CID3618004
Molecular FormulaC20H17ClN2O5S
Molecular Weight432.89 g/mol
Exact Mass432.05
IUPAC Name2-(3-chlorophenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(Cl)c2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C20H17ClN2O5S/c21-14-3-1-2-13(10-14)19-12-17(20(24)25)16-11-15(4-5-18(16)22-19)29(26,27)23-6-8-28-9-7-23/h1-5,10-12H,6-9H2,(H,24,25)
InChIKeyVAPNFGKEEIITFE-UHFFFAOYSA-N
XLogP3.27
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.89
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 4008920
2-ethyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 4646569
[2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 1261463
7-(3-chlorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 18073477
6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
CID 3972728
azepan-1-yl-(6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinolin-4-yl)methanone
CID 3580966
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4638958
6-morpholin-4-ylsulfonylquinoline-3,4-dicarboxylic acid
CID 11682116
6-pyrrolidin-1-ylsulfonyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 3509609
2-(furan-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid
CID 3494841
6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid
CID 3348265
6-(azepan-1-ylsulfonyl)-2-pyridin-2-ylquinoline-4-carboxylic acid
CID 3969586

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid?
The IUPAC name of 2-(3-chlorophenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid (CID 3618004) is 2-(3-chlorophenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(3-chlorophenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid is O=C(O)c1cc(-c2cccc(Cl)c2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12.
What is the InChIKey of 2-(3-chlorophenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid?
The InChIKey is VAPNFGKEEIITFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O5S/c21-14-3-1-2-13(10-14)19-12-17(20(24)25)16-11-15(4-5-18(16)22-19)29(26,27)23-6-8-28-9-7-23/h1-5,10-12H,6-9H2,(H,24,25).
What are the key properties of 2-(3-chlorophenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid?
2-(3-chlorophenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid has a molecular weight of 432.89 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid is sourced from PubChem (CID 3618004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).