[6-(morpholin-4-ylmethyl)quinolin-2-yl] methanesulfonate

C15H18N2O4S — CID 141349621

IUPAC[6-(morpholin-4-ylmethyl)quinolin-2-yl] methanesulfonate
SMILESCS(=O)(=O)Oc1ccc2cc(CN3CCOCC3)ccc2n1
InChIInChI=1S/C15H18N2O4S/c1-22(18,19)21-15-5-3-13-10-12(2-4-14(13)16-15)11-17-6-8-20-9-7-17/h2-5,10H,6-9,11H2,1H3
InChIKeyJWDNHCSUDLAYTB-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.41
Rot. Bonds4

About [6-(morpholin-4-ylmethyl)quinolin-2-yl] methanesulfonate

[6-(morpholin-4-ylmethyl)quinolin-2-yl] methanesulfonate (PubChem CID 141349621) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is [6-(morpholin-4-ylmethyl)quinolin-2-yl] methanesulfonate.

Molecular Properties

Compound Name[6-(morpholin-4-ylmethyl)quinolin-2-yl] methanesulfonate
PubChem CID141349621
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name[6-(morpholin-4-ylmethyl)quinolin-2-yl] methanesulfonate
SMILESCS(=O)(=O)Oc1ccc2cc(CN3CCOCC3)ccc2n1
InChIInChI=1S/C15H18N2O4S/c1-22(18,19)21-15-5-3-13-10-12(2-4-14(13)16-15)11-17-6-8-20-9-7-17/h2-5,10H,6-9,11H2,1H3
InChIKeyJWDNHCSUDLAYTB-UHFFFAOYSA-N
XLogP1.41
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

ethane;4-[(2-methyl-1,3-benzothiazol-6-yl)methyl]morpholine
CID 145100782
2,3-dimethoxy-6-(morpholin-4-ylmethyl)quinazolin-4-one
CID 66769782
2-methyl-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride
CID 83271462
4-[3-(2-methylquinolin-6-yl)propyl]morpholine
CID 170870051
4-[(2-methylquinolin-6-yl)methyl]morpholine-2-carboxylic acid
CID 105379675
2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 46785387
2-methoxy-6-(pyrrolidin-1-ylmethyl)quinazoline
CID 174283606
4-[(4-ethyl-3-methylphenyl)methyl]morpholine
CID 71052307
2-methyl-6-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]quinoline
CID 167445695
2-cyclopropyl-6-(pyrrolidin-1-ylmethyl)quinoline
CID 174283470
2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol
CID 82979671
ethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]morpholine
CID 170708040

Frequently Asked Questions

What is the IUPAC name of [6-(morpholin-4-ylmethyl)quinolin-2-yl] methanesulfonate?
The IUPAC name of [6-(morpholin-4-ylmethyl)quinolin-2-yl] methanesulfonate (CID 141349621) is [6-(morpholin-4-ylmethyl)quinolin-2-yl] methanesulfonate.
What is the SMILES notation for [6-(morpholin-4-ylmethyl)quinolin-2-yl] methanesulfonate?
The canonical SMILES for [6-(morpholin-4-ylmethyl)quinolin-2-yl] methanesulfonate is CS(=O)(=O)Oc1ccc2cc(CN3CCOCC3)ccc2n1.
What is the InChIKey of [6-(morpholin-4-ylmethyl)quinolin-2-yl] methanesulfonate?
The InChIKey is JWDNHCSUDLAYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-22(18,19)21-15-5-3-13-10-12(2-4-14(13)16-15)11-17-6-8-20-9-7-17/h2-5,10H,6-9,11H2,1H3.
What are the key properties of [6-(morpholin-4-ylmethyl)quinolin-2-yl] methanesulfonate?
[6-(morpholin-4-ylmethyl)quinolin-2-yl] methanesulfonate has a molecular weight of 322.39 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(morpholin-4-ylmethyl)quinolin-2-yl] methanesulfonate is sourced from PubChem (CID 141349621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).