2-methyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid

C15H16N2O5S — CID 4008920

IUPAC2-methyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2cc(S(=O)(=O)N3CCOCC3)ccc2n1
InChIInChI=1S/C15H16N2O5S/c1-10-8-13(15(18)19)12-9-11(2-3-14(12)16-10)23(20,21)17-4-6-22-7-5-17/h2-3,8-9H,4-7H2,1H3,(H,18,19)
InChIKeyKZQATCMLIIAMTN-UHFFFAOYSA-N
MW336.37 g/mol
LogP1.26
Rot. Bonds3

About 2-methyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid

2-methyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid (PubChem CID 4008920) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-methyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
PubChem CID4008920
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Name2-methyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2cc(S(=O)(=O)N3CCOCC3)ccc2n1
InChIInChI=1S/C15H16N2O5S/c1-10-8-13(15(18)19)12-9-11(2-3-14(12)16-10)23(20,21)17-4-6-22-7-5-17/h2-3,8-9H,4-7H2,1H3,(H,18,19)
InChIKeyKZQATCMLIIAMTN-UHFFFAOYSA-N
XLogP1.26
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 4646569
6-morpholin-4-ylsulfonylquinoline-3,4-dicarboxylic acid
CID 11682116
2-(3-chlorophenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 3618004
6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 2338315
2-bromo-5-morpholin-4-ylsulfonylbenzoic acid
CID 802146
2-(methylamino)-5-morpholin-4-ylsulfonylbenzoic acid
CID 103606245
azepan-1-yl-(6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinolin-4-yl)methanone
CID 3580966
2-(furan-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid
CID 3494841
2-(1-acetyl-3,5-dimethylpyrazol-4-yl)-4-methyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione
CID 11684705
2,6-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide
CID 18277170
4-(2-hydroxyethylcarbamoyl)-6-morpholin-4-ylsulfonylquinoline-3-carboxylic acid
CID 11517105
4-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;molecular hydrogen
CID 142983845

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid?
The IUPAC name of 2-methyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid (CID 4008920) is 2-methyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-methyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid?
The canonical SMILES for 2-methyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid is Cc1cc(C(=O)O)c2cc(S(=O)(=O)N3CCOCC3)ccc2n1.
What is the InChIKey of 2-methyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid?
The InChIKey is KZQATCMLIIAMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-10-8-13(15(18)19)12-9-11(2-3-14(12)16-10)23(20,21)17-4-6-22-7-5-17/h2-3,8-9H,4-7H2,1H3,(H,18,19).
What are the key properties of 2-methyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid?
2-methyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid has a molecular weight of 336.37 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid is sourced from PubChem (CID 4008920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).