1-[3-(3-methoxyphenyl)sulfonylquinolin-8-yl]azetidin-3-ol

C19H18N2O4S — CID 130404400

IUPAC1-[3-(3-methoxyphenyl)sulfonylquinolin-8-yl]azetidin-3-ol
SMILESCOc1cccc(S(=O)(=O)c2cnc3c(N4CC(O)C4)cccc3c2)c1
InChIInChI=1S/C19H18N2O4S/c1-25-15-5-3-6-16(9-15)26(23,24)17-8-13-4-2-7-18(19(13)20-10-17)21-11-14(22)12-21/h2-10,14,22H,11-12H2,1H3
InChIKeyRIMLQBDWFXZNBO-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.26
Rot. Bonds4

About 1-[3-(3-methoxyphenyl)sulfonylquinolin-8-yl]azetidin-3-ol

1-[3-(3-methoxyphenyl)sulfonylquinolin-8-yl]azetidin-3-ol (PubChem CID 130404400) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-[3-(3-methoxyphenyl)sulfonylquinolin-8-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[3-(3-methoxyphenyl)sulfonylquinolin-8-yl]azetidin-3-ol
PubChem CID130404400
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name1-[3-(3-methoxyphenyl)sulfonylquinolin-8-yl]azetidin-3-ol
SMILESCOc1cccc(S(=O)(=O)c2cnc3c(N4CC(O)C4)cccc3c2)c1
InChIInChI=1S/C19H18N2O4S/c1-25-15-5-3-6-16(9-15)26(23,24)17-8-13-4-2-7-18(19(13)20-10-17)21-11-14(22)12-21/h2-10,14,22H,11-12H2,1H3
InChIKeyRIMLQBDWFXZNBO-UHFFFAOYSA-N
XLogP2.26
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-[3-(benzenesulfonyl)quinolin-8-yl]piperidin-3-ol
CID 130404380
(3S)-1-[3-(benzenesulfonyl)quinolin-8-yl]piperidin-3-ol
CID 130404376
1-[3-[3-(difluoromethoxy)phenyl]sulfonylquinolin-8-yl]piperidine-4-carboxylic acid
CID 130404336
(3S)-1-[3-[3-(trifluoromethyl)phenyl]sulfonylquinolin-8-yl]piperidin-3-ol
CID 130404359
8-[(1R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-(3-fluorophenyl)sulfonylquinoline
CID 118936589
[4-[3-(benzenesulfonyl)quinolin-8-yl]piperazin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
CID 171684708
8-[(1S,5S)-3-aza-6-azoniabicyclo[3.2.0]heptan-3-yl]-3-(3-fluorophenyl)sulfonylquinoline;hydrochloride
CID 86647687
3-(benzenesulfonyl)-8-piperazin-1-ylquinoline
CID 11256720
8-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(4-fluorophenyl)sulfonylquinoline;hydrochloride
CID 173104948
3-(4-fluorophenyl)sulfonyl-8-(3-methylpiperazin-1-yl)quinoline
CID 10309460
7-fluoro-3-(3-methoxyphenyl)sulfonylquinoline
CID 91316778
tert-butyl 5-[3-[3-(trifluoromethyl)phenyl]sulfonylquinolin-8-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate
CID 68728985

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxyphenyl)sulfonylquinolin-8-yl]azetidin-3-ol?
The IUPAC name of 1-[3-(3-methoxyphenyl)sulfonylquinolin-8-yl]azetidin-3-ol (CID 130404400) is 1-[3-(3-methoxyphenyl)sulfonylquinolin-8-yl]azetidin-3-ol.
What is the SMILES notation for 1-[3-(3-methoxyphenyl)sulfonylquinolin-8-yl]azetidin-3-ol?
The canonical SMILES for 1-[3-(3-methoxyphenyl)sulfonylquinolin-8-yl]azetidin-3-ol is COc1cccc(S(=O)(=O)c2cnc3c(N4CC(O)C4)cccc3c2)c1.
What is the InChIKey of 1-[3-(3-methoxyphenyl)sulfonylquinolin-8-yl]azetidin-3-ol?
The InChIKey is RIMLQBDWFXZNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-25-15-5-3-6-16(9-15)26(23,24)17-8-13-4-2-7-18(19(13)20-10-17)21-11-14(22)12-21/h2-10,14,22H,11-12H2,1H3.
What are the key properties of 1-[3-(3-methoxyphenyl)sulfonylquinolin-8-yl]azetidin-3-ol?
1-[3-(3-methoxyphenyl)sulfonylquinolin-8-yl]azetidin-3-ol has a molecular weight of 370.43 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxyphenyl)sulfonylquinolin-8-yl]azetidin-3-ol is sourced from PubChem (CID 130404400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).