(3S)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]morpholine-2-carboxylic acid

C22H23N3O6S — CID 150901889

IUPAC(3S)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]morpholine-2-carboxylic acid
SMILESCc1cc(COc2ccc(S(=O)(=O)N[C@@H]3NCCOC3C(=O)O)cc2)c2ccccc2n1
InChIInChI=1S/C22H23N3O6S/c1-14-12-15(18-4-2-3-5-19(18)24-14)13-31-16-6-8-17(9-7-16)32(28,29)25-21-20(22(26)27)30-11-10-23-21/h2-9,12,20-21,23,25H,10-11,13H2,1H3,(H,26,27)/t20?,21-/m0/s1
InChIKeyLAEHSBDULYHQLN-LBAQZLPGSA-N
MW457.51 g/mol
LogP1.80
Rot. Bonds7

About (3S)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]morpholine-2-carboxylic acid

(3S)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]morpholine-2-carboxylic acid (PubChem CID 150901889) has the molecular formula C22H23N3O6S and a molecular weight of 457.51 g/mol. Its IUPAC name is (3S)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]morpholine-2-carboxylic acid
PubChem CID150901889
Molecular FormulaC22H23N3O6S
Molecular Weight457.51 g/mol
Exact Mass457.13
IUPAC Name(3S)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]morpholine-2-carboxylic acid
SMILESCc1cc(COc2ccc(S(=O)(=O)N[C@@H]3NCCOC3C(=O)O)cc2)c2ccccc2n1
InChIInChI=1S/C22H23N3O6S/c1-14-12-15(18-4-2-3-5-19(18)24-14)13-31-16-6-8-17(9-7-16)32(28,29)25-21-20(22(26)27)30-11-10-23-21/h2-9,12,20-21,23,25H,10-11,13H2,1H3,(H,26,27)/t20?,21-/m0/s1
InChIKeyLAEHSBDULYHQLN-LBAQZLPGSA-N
XLogP1.80
TPSA126.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(3S,4R)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxylic acid
CID 68817366
trans-(1R,2R)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 68819595
1-formyl-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxylic acid
CID 87586652
N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide
CID 73127838
1-acetyl-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxylic acid
CID 68818825
(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxolane-3-carboxamide
CID 11855328
(3R,4R)-1-(ethylcarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxylic acid
CID 68817241
tert-butyl (3S,4S)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxylate;hydrochloride
CID 68818815
(3S,4R)-3-methyl-N-[(2-methylpropan-2-yl)oxy]-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide
CID 86607899
9-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-1-carboxylic acid
CID 91102325
cis-(1R,2R)-1-fluoro-N-[(2-methylpropan-2-yl)oxy]-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide
CID 86607911
2-tert-butyl-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-1-carboxylic acid
CID 87939421

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]morpholine-2-carboxylic acid?
The IUPAC name of (3S)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]morpholine-2-carboxylic acid (CID 150901889) is (3S)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]morpholine-2-carboxylic acid.
What is the SMILES notation for (3S)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]morpholine-2-carboxylic acid?
The canonical SMILES for (3S)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]morpholine-2-carboxylic acid is Cc1cc(COc2ccc(S(=O)(=O)N[C@@H]3NCCOC3C(=O)O)cc2)c2ccccc2n1.
What is the InChIKey of (3S)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]morpholine-2-carboxylic acid?
The InChIKey is LAEHSBDULYHQLN-LBAQZLPGSA-N. The full InChI is InChI=1S/C22H23N3O6S/c1-14-12-15(18-4-2-3-5-19(18)24-14)13-31-16-6-8-17(9-7-16)32(28,29)25-21-20(22(26)27)30-11-10-23-21/h2-9,12,20-21,23,25H,10-11,13H2,1H3,(H,26,27)/t20?,21-/m0/s1.
What are the key properties of (3S)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]morpholine-2-carboxylic acid?
(3S)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]morpholine-2-carboxylic acid has a molecular weight of 457.51 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]morpholine-2-carboxylic acid is sourced from PubChem (CID 150901889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).