4-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-2-carboxylic acid

C16H18N2O3 — CID 102958619

IUPAC4-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-2-carboxylic acid
SMILESCC1CCN(c2cc(C(=O)O)nc3ccccc23)CC1O
InChIInChI=1S/C16H18N2O3/c1-10-6-7-18(9-15(10)19)14-8-13(16(20)21)17-12-5-3-2-4-11(12)14/h2-5,8,10,15,19H,6-7,9H2,1H3,(H,20,21)
InChIKeyVNSMGWQZOIGCMP-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.14
Rot. Bonds2

About 4-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-2-carboxylic acid

4-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-2-carboxylic acid (PubChem CID 102958619) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-2-carboxylic acid
PubChem CID102958619
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-2-carboxylic acid
SMILESCC1CCN(c2cc(C(=O)O)nc3ccccc23)CC1O
InChIInChI=1S/C16H18N2O3/c1-10-6-7-18(9-15(10)19)14-8-13(16(20)21)17-12-5-3-2-4-11(12)14/h2-5,8,10,15,19H,6-7,9H2,1H3,(H,20,21)
InChIKeyVNSMGWQZOIGCMP-UHFFFAOYSA-N
XLogP2.14
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxypyrrolidin-1-yl)quinoline-2-carboxylic acid
CID 103534309
4-piperidin-1-ylquinoline-2-carboxylic acid
CID 55222187
1-cinnolin-4-yl-4-methylpiperidin-3-ol
CID 102959211
(4-chloroquinolin-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957022
2-(3-hydroxy-4-methylpiperidin-1-yl)benzoic acid
CID 102958633
1-[4-(aminomethyl)quinolin-2-yl]-4-methylpiperidin-3-ol
CID 102955884
4-(3-bromo-4-methylpiperidin-1-yl)-2-methylquinoline
CID 102961080
(3R)-1-(2-phenylquinolin-4-yl)pyrrolidin-3-ol
CID 22965973
4-(1,4-thiazepan-4-yl)quinoline-2-carboxylic acid
CID 63374218
methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate
CID 78983917
4-methyl-1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid
CID 63721046
1-(4-hydroxypiperidin-1-yl)isoquinoline-3-carboxylic acid
CID 43343423

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-2-carboxylic acid?
The IUPAC name of 4-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-2-carboxylic acid (CID 102958619) is 4-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-2-carboxylic acid.
What is the SMILES notation for 4-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-2-carboxylic acid?
The canonical SMILES for 4-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-2-carboxylic acid is CC1CCN(c2cc(C(=O)O)nc3ccccc23)CC1O.
What is the InChIKey of 4-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-2-carboxylic acid?
The InChIKey is VNSMGWQZOIGCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-6-7-18(9-15(10)19)14-8-13(16(20)21)17-12-5-3-2-4-11(12)14/h2-5,8,10,15,19H,6-7,9H2,1H3,(H,20,21).
What are the key properties of 4-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-2-carboxylic acid?
4-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-2-carboxylic acid is sourced from PubChem (CID 102958619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).