7-[(R)-(3-hydroxyphenyl)-pyrrolidin-1-ium-1-ylmethyl]quinolin-8-ol

C20H21N2O2+ — CID 6920074

IUPAC7-[(R)-(3-hydroxyphenyl)-pyrrolidin-1-ium-1-ylmethyl]quinolin-8-ol
SMILESOc1cccc([C@H](c2ccc3cccnc3c2O)[NH+]2CCCC2)c1
InChIInChI=1S/C20H20N2O2/c23-16-7-3-5-15(13-16)19(22-11-1-2-12-22)17-9-8-14-6-4-10-21-18(14)20(17)24/h3-10,13,19,23-24H,1-2,11-12H2/p+1/t19-/m1/s1
InChIKeyGDKJUKABSCEYAQ-LJQANCHMSA-O
MW321.40 g/mol
LogP2.41
Rot. Bonds3

About 7-[(R)-(3-hydroxyphenyl)-pyrrolidin-1-ium-1-ylmethyl]quinolin-8-ol

7-[(R)-(3-hydroxyphenyl)-pyrrolidin-1-ium-1-ylmethyl]quinolin-8-ol (PubChem CID 6920074) has the molecular formula C20H21N2O2+ and a molecular weight of 321.40 g/mol. Its IUPAC name is 7-[(R)-(3-hydroxyphenyl)-pyrrolidin-1-ium-1-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(R)-(3-hydroxyphenyl)-pyrrolidin-1-ium-1-ylmethyl]quinolin-8-ol
PubChem CID6920074
Molecular FormulaC20H21N2O2+
Molecular Weight321.40 g/mol
Exact Mass321.16
IUPAC Name7-[(R)-(3-hydroxyphenyl)-pyrrolidin-1-ium-1-ylmethyl]quinolin-8-ol
SMILESOc1cccc([C@H](c2ccc3cccnc3c2O)[NH+]2CCCC2)c1
InChIInChI=1S/C20H20N2O2/c23-16-7-3-5-15(13-16)19(22-11-1-2-12-22)17-9-8-14-6-4-10-21-18(14)20(17)24/h3-10,13,19,23-24H,1-2,11-12H2/p+1/t19-/m1/s1
InChIKeyGDKJUKABSCEYAQ-LJQANCHMSA-O
XLogP2.41
TPSA57.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

7-[(R)-piperidin-1-ium-1-yl(pyridin-4-yl)methyl]quinolin-8-ol
CID 7122108
7-[piperidin-1-ium-1-yl(pyridin-2-yl)methyl]quinolin-8-ol
CID 5092864
7-[(R)-piperidin-1-ium-1-yl-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 6988629
7-[(S)-(4-methylpiperazine-1,4-diium-1-yl)-pyridin-4-ylmethyl]quinolin-8-ol
CID 6920079
7-[(S)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 7565070
(8-hydroxyquinolin-7-yl)methanediol
CID 145367917
7-[amino(phenyl)methyl]quinolin-8-ol
CID 118080370
7-[(S)-pyridin-3-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol
CID 675468
7-[1-(3-chlorophenyl)-2-(5-chloro-2-pyridinyl)ethyl]quinolin-8-ol
CID 58542971
7-[phenyl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 3056881
7-[1-(3-fluorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol
CID 58542815
7-[(2-chloro-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 3388948

Frequently Asked Questions

What is the IUPAC name of 7-[(R)-(3-hydroxyphenyl)-pyrrolidin-1-ium-1-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[(R)-(3-hydroxyphenyl)-pyrrolidin-1-ium-1-ylmethyl]quinolin-8-ol (CID 6920074) is 7-[(R)-(3-hydroxyphenyl)-pyrrolidin-1-ium-1-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[(R)-(3-hydroxyphenyl)-pyrrolidin-1-ium-1-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[(R)-(3-hydroxyphenyl)-pyrrolidin-1-ium-1-ylmethyl]quinolin-8-ol is Oc1cccc([C@H](c2ccc3cccnc3c2O)[NH+]2CCCC2)c1.
What is the InChIKey of 7-[(R)-(3-hydroxyphenyl)-pyrrolidin-1-ium-1-ylmethyl]quinolin-8-ol?
The InChIKey is GDKJUKABSCEYAQ-LJQANCHMSA-O. The full InChI is InChI=1S/C20H20N2O2/c23-16-7-3-5-15(13-16)19(22-11-1-2-12-22)17-9-8-14-6-4-10-21-18(14)20(17)24/h3-10,13,19,23-24H,1-2,11-12H2/p+1/t19-/m1/s1.
What are the key properties of 7-[(R)-(3-hydroxyphenyl)-pyrrolidin-1-ium-1-ylmethyl]quinolin-8-ol?
7-[(R)-(3-hydroxyphenyl)-pyrrolidin-1-ium-1-ylmethyl]quinolin-8-ol has a molecular weight of 321.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(R)-(3-hydroxyphenyl)-pyrrolidin-1-ium-1-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 6920074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).