4-[(2-methylquinolin-6-yl)methyl]morpholine-2-carboxylic acid

C16H18N2O3 — CID 105379675

IUPAC4-[(2-methylquinolin-6-yl)methyl]morpholine-2-carboxylic acid
SMILESCc1ccc2cc(CN3CCOC(C(=O)O)C3)ccc2n1
InChIInChI=1S/C16H18N2O3/c1-11-2-4-13-8-12(3-5-14(13)17-11)9-18-6-7-21-15(10-18)16(19)20/h2-5,8,15H,6-7,9-10H2,1H3,(H,19,20)
InChIKeyUXRRZDLGTJWEAB-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.83
Rot. Bonds3

About 4-[(2-methylquinolin-6-yl)methyl]morpholine-2-carboxylic acid

4-[(2-methylquinolin-6-yl)methyl]morpholine-2-carboxylic acid (PubChem CID 105379675) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[(2-methylquinolin-6-yl)methyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methylquinolin-6-yl)methyl]morpholine-2-carboxylic acid
PubChem CID105379675
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-[(2-methylquinolin-6-yl)methyl]morpholine-2-carboxylic acid
SMILESCc1ccc2cc(CN3CCOC(C(=O)O)C3)ccc2n1
InChIInChI=1S/C16H18N2O3/c1-11-2-4-13-8-12(3-5-14(13)17-11)9-18-6-7-21-15(10-18)16(19)20/h2-5,8,15H,6-7,9-10H2,1H3,(H,19,20)
InChIKeyUXRRZDLGTJWEAB-UHFFFAOYSA-N
XLogP1.83
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2-methylquinolin-6-yl)methyl]morpholine-2-carboxylic acid 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

4-[(4-fluoro-3-methylphenyl)methyl]morpholine-2-carboxylic acid
CID 65067073
(2R)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441017
(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441015
2-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]propanoic acid
CID 105379685
5-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid
CID 122125208
2-methyl-6-[(3-methylpyrrolidin-1-yl)methyl]quinoline
CID 170707754
4-[(5-methyl-3-pyridinyl)methyl]morpholine-2-carboxylic acid
CID 102877444
(3R,4S)-1-[(2-methylquinolin-6-yl)methyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 167885486
2-methyl-6-[(3-methylpiperazin-1-yl)methyl]quinoline
CID 105379000
N-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidin-3-amine
CID 105378976
(2S)-4-[(3-pyridin-2-ylphenyl)methyl]morpholine-2-carboxylic acid
CID 95866693
4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid
CID 62699016

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylquinolin-6-yl)methyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[(2-methylquinolin-6-yl)methyl]morpholine-2-carboxylic acid (CID 105379675) is 4-[(2-methylquinolin-6-yl)methyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[(2-methylquinolin-6-yl)methyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[(2-methylquinolin-6-yl)methyl]morpholine-2-carboxylic acid is Cc1ccc2cc(CN3CCOC(C(=O)O)C3)ccc2n1.
What is the InChIKey of 4-[(2-methylquinolin-6-yl)methyl]morpholine-2-carboxylic acid?
The InChIKey is UXRRZDLGTJWEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-2-4-13-8-12(3-5-14(13)17-11)9-18-6-7-21-15(10-18)16(19)20/h2-5,8,15H,6-7,9-10H2,1H3,(H,19,20).
What are the key properties of 4-[(2-methylquinolin-6-yl)methyl]morpholine-2-carboxylic acid?
4-[(2-methylquinolin-6-yl)methyl]morpholine-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylquinolin-6-yl)methyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 105379675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).