(1-methylpiperidin-2-yl)methyl 6-methoxyquinoline-3-carboxylate

C18H22N2O3 — CID 19794452

IUPAC(1-methylpiperidin-2-yl)methyl 6-methoxyquinoline-3-carboxylate
SMILESCOc1ccc2ncc(C(=O)OCC3CCCCN3C)cc2c1
InChIInChI=1S/C18H22N2O3/c1-20-8-4-3-5-15(20)12-23-18(21)14-9-13-10-16(22-2)6-7-17(13)19-11-14/h6-7,9-11,15H,3-5,8,12H2,1-2H3
InChIKeyNCQYUWJQOWEKTL-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.88
Rot. Bonds4

About (1-methylpiperidin-2-yl)methyl 6-methoxyquinoline-3-carboxylate

(1-methylpiperidin-2-yl)methyl 6-methoxyquinoline-3-carboxylate (PubChem CID 19794452) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is (1-methylpiperidin-2-yl)methyl 6-methoxyquinoline-3-carboxylate.

Molecular Properties

Compound Name(1-methylpiperidin-2-yl)methyl 6-methoxyquinoline-3-carboxylate
PubChem CID19794452
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name(1-methylpiperidin-2-yl)methyl 6-methoxyquinoline-3-carboxylate
SMILESCOc1ccc2ncc(C(=O)OCC3CCCCN3C)cc2c1
InChIInChI=1S/C18H22N2O3/c1-20-8-4-3-5-15(20)12-23-18(21)14-9-13-10-16(22-2)6-7-17(13)19-11-14/h6-7,9-11,15H,3-5,8,12H2,1-2H3
InChIKeyNCQYUWJQOWEKTL-UHFFFAOYSA-N
XLogP2.88
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-methylpiperidin-2-yl)methyl 6-methoxyquinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-methylpiperidin-2-yl)methyl pyridine-4-carboxylate
CID 23904865
methyl 2-[cyclopentyl-(6-methoxyquinoline-3-carbonyl)amino]acetate
CID 171676120
methyl 3-(6-methoxyquinolin-3-yl)-3-oxopropanoate
CID 82665608
6-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid
CID 65471120
N-(2-hydroxyethyl)-6-methoxyquinoline-3-carboxamide
CID 110489941
(6-methoxyquinolin-3-yl)-phenylmethanone
CID 102416724
ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride
CID 22326874
3-methoxy-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]benzamide
CID 29055690
6-methoxy-N-morpholin-4-ylquinoline-3-carboxamide
CID 25222844
3-methoxy-N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]benzamide
CID 29055686
4-methoxy-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
CID 81302746
1-[4-methoxy-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanone
CID 103801800

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-2-yl)methyl 6-methoxyquinoline-3-carboxylate?
The IUPAC name of (1-methylpiperidin-2-yl)methyl 6-methoxyquinoline-3-carboxylate (CID 19794452) is (1-methylpiperidin-2-yl)methyl 6-methoxyquinoline-3-carboxylate.
What is the SMILES notation for (1-methylpiperidin-2-yl)methyl 6-methoxyquinoline-3-carboxylate?
The canonical SMILES for (1-methylpiperidin-2-yl)methyl 6-methoxyquinoline-3-carboxylate is COc1ccc2ncc(C(=O)OCC3CCCCN3C)cc2c1.
What is the InChIKey of (1-methylpiperidin-2-yl)methyl 6-methoxyquinoline-3-carboxylate?
The InChIKey is NCQYUWJQOWEKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-20-8-4-3-5-15(20)12-23-18(21)14-9-13-10-16(22-2)6-7-17(13)19-11-14/h6-7,9-11,15H,3-5,8,12H2,1-2H3.
What are the key properties of (1-methylpiperidin-2-yl)methyl 6-methoxyquinoline-3-carboxylate?
(1-methylpiperidin-2-yl)methyl 6-methoxyquinoline-3-carboxylate has a molecular weight of 314.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-2-yl)methyl 6-methoxyquinoline-3-carboxylate is sourced from PubChem (CID 19794452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).