(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl-[2-(oxan-4-ylmethoxy)phenyl]methanol

C26H35NO5S — CID 175740813

IUPAC(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl-[2-(oxan-4-ylmethoxy)phenyl]methanol
SMILESCCc1ccc2c(c1)CCC(CC)N2S(=O)(=O)C(O)c1ccccc1OCC1CCOCC1
InChIInChI=1S/C26H35NO5S/c1-3-19-9-12-24-21(17-19)10-11-22(4-2)27(24)33(29,30)26(28)23-7-5-6-8-25(23)32-18-20-13-15-31-16-14-20/h5-9,12,17,20,22,26,28H,3-4,10-11,13-16,18H2,1-2H3
InChIKeyDFLVGWTVMHPNGB-UHFFFAOYSA-N
MW473.64 g/mol
LogP4.61
Rot. Bonds8

About (2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl-[2-(oxan-4-ylmethoxy)phenyl]methanol

(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl-[2-(oxan-4-ylmethoxy)phenyl]methanol (PubChem CID 175740813) has the molecular formula C26H35NO5S and a molecular weight of 473.64 g/mol. Its IUPAC name is (2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl-[2-(oxan-4-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl-[2-(oxan-4-ylmethoxy)phenyl]methanol
PubChem CID175740813
Molecular FormulaC26H35NO5S
Molecular Weight473.64 g/mol
Exact Mass473.22
IUPAC Name(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl-[2-(oxan-4-ylmethoxy)phenyl]methanol
SMILESCCc1ccc2c(c1)CCC(CC)N2S(=O)(=O)C(O)c1ccccc1OCC1CCOCC1
InChIInChI=1S/C26H35NO5S/c1-3-19-9-12-24-21(17-19)10-11-22(4-2)27(24)33(29,30)26(28)23-7-5-6-8-25(23)32-18-20-13-15-31-16-14-20/h5-9,12,17,20,22,26,28H,3-4,10-11,13-16,18H2,1-2H3
InChIKeyDFLVGWTVMHPNGB-UHFFFAOYSA-N
XLogP4.61
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.64
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl-[2-(oxan-4-ylmethoxy)phenyl]methanol with MolForge

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Launch Full Analysis

Related Compounds

[5-[[(2S)-6-ethyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol
CID 138518572
methyl 5-[(6-ethyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)benzoate
CID 138518307
2,6-diethyl-1-[4-(oxan-4-ylmethoxy)-3-(trifluoromethyl)phenyl]sulfanyl-3,4-dihydro-2H-quinoline
CID 155032141
1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-ol
CID 62386971
1-[5-[[2-ethyl-6-(2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]ethanone
CID 160835960
5-[(2-ethyl-6-iodo-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)benzoic acid
CID 155011607
[5-[(2,6-diethyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol
CID 138518145
[5-[(6-ethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol
CID 138518109
methyl 5-[(6-cyclobutyl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)benzoate
CID 155021958
1-[5-[(2-ethyl-6-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]ethanone
CID 157462031
methyl 5-[[6-(1,1-difluoroethyl)-2-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)benzoate
CID 138518629
(1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine
CID 78932889

Frequently Asked Questions

What is the IUPAC name of (2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl-[2-(oxan-4-ylmethoxy)phenyl]methanol?
The IUPAC name of (2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl-[2-(oxan-4-ylmethoxy)phenyl]methanol (CID 175740813) is (2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl-[2-(oxan-4-ylmethoxy)phenyl]methanol.
What is the SMILES notation for (2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl-[2-(oxan-4-ylmethoxy)phenyl]methanol?
The canonical SMILES for (2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl-[2-(oxan-4-ylmethoxy)phenyl]methanol is CCc1ccc2c(c1)CCC(CC)N2S(=O)(=O)C(O)c1ccccc1OCC1CCOCC1.
What is the InChIKey of (2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl-[2-(oxan-4-ylmethoxy)phenyl]methanol?
The InChIKey is DFLVGWTVMHPNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO5S/c1-3-19-9-12-24-21(17-19)10-11-22(4-2)27(24)33(29,30)26(28)23-7-5-6-8-25(23)32-18-20-13-15-31-16-14-20/h5-9,12,17,20,22,26,28H,3-4,10-11,13-16,18H2,1-2H3.
What are the key properties of (2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl-[2-(oxan-4-ylmethoxy)phenyl]methanol?
(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl-[2-(oxan-4-ylmethoxy)phenyl]methanol has a molecular weight of 473.64 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl-[2-(oxan-4-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 175740813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).