5-chloro-7-[(2-methylpiperidin-1-yl)methyl]quinolin-8-ol

C16H19ClN2O — CID 3522871

IUPAC5-chloro-7-[(2-methylpiperidin-1-yl)methyl]quinolin-8-ol
SMILESCC1CCCCN1Cc1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C16H19ClN2O/c1-11-5-2-3-8-19(11)10-12-9-14(17)13-6-4-7-18-15(13)16(12)20/h4,6-7,9,11,20H,2-3,5,8,10H2,1H3
InChIKeyJYYGLOIYBKYPCE-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.97
Rot. Bonds2

About 5-chloro-7-[(2-methylpiperidin-1-yl)methyl]quinolin-8-ol

5-chloro-7-[(2-methylpiperidin-1-yl)methyl]quinolin-8-ol (PubChem CID 3522871) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 5-chloro-7-[(2-methylpiperidin-1-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-chloro-7-[(2-methylpiperidin-1-yl)methyl]quinolin-8-ol
PubChem CID3522871
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name5-chloro-7-[(2-methylpiperidin-1-yl)methyl]quinolin-8-ol
SMILESCC1CCCCN1Cc1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C16H19ClN2O/c1-11-5-2-3-8-19(11)10-12-9-14(17)13-6-4-7-18-15(13)16(12)20/h4,6-7,9,11,20H,2-3,5,8,10H2,1H3
InChIKeyJYYGLOIYBKYPCE-UHFFFAOYSA-N
XLogP3.97
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[(2-methylpiperidin-1-yl)methyl]quinolin-8-ol?
The IUPAC name of 5-chloro-7-[(2-methylpiperidin-1-yl)methyl]quinolin-8-ol (CID 3522871) is 5-chloro-7-[(2-methylpiperidin-1-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 5-chloro-7-[(2-methylpiperidin-1-yl)methyl]quinolin-8-ol?
The canonical SMILES for 5-chloro-7-[(2-methylpiperidin-1-yl)methyl]quinolin-8-ol is CC1CCCCN1Cc1cc(Cl)c2cccnc2c1O.
What is the InChIKey of 5-chloro-7-[(2-methylpiperidin-1-yl)methyl]quinolin-8-ol?
The InChIKey is JYYGLOIYBKYPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-11-5-2-3-8-19(11)10-12-9-14(17)13-6-4-7-18-15(13)16(12)20/h4,6-7,9,11,20H,2-3,5,8,10H2,1H3.
What are the key properties of 5-chloro-7-[(2-methylpiperidin-1-yl)methyl]quinolin-8-ol?
5-chloro-7-[(2-methylpiperidin-1-yl)methyl]quinolin-8-ol has a molecular weight of 290.79 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[(2-methylpiperidin-1-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 3522871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).