(2R,3S)-2-methyl-4-(quinolin-6-ylmethyl)morpholine-3-carboxylic acid

C16H18N2O3 — CID 167968895

IUPAC(2R,3S)-2-methyl-4-(quinolin-6-ylmethyl)morpholine-3-carboxylic acid
SMILESC[C@H]1OCCN(Cc2ccc3ncccc3c2)[C@@H]1C(=O)O
InChIInChI=1S/C16H18N2O3/c1-11-15(16(19)20)18(7-8-21-11)10-12-4-5-14-13(9-12)3-2-6-17-14/h2-6,9,11,15H,7-8,10H2,1H3,(H,19,20)/t11-,15+/m1/s1
InChIKeyZMQPHGRLNBODPP-ABAIWWIYSA-N
MW286.33 g/mol
LogP1.91
Rot. Bonds3

About (2R,3S)-2-methyl-4-(quinolin-6-ylmethyl)morpholine-3-carboxylic acid

(2R,3S)-2-methyl-4-(quinolin-6-ylmethyl)morpholine-3-carboxylic acid (PubChem CID 167968895) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2R,3S)-2-methyl-4-(quinolin-6-ylmethyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-2-methyl-4-(quinolin-6-ylmethyl)morpholine-3-carboxylic acid
PubChem CID167968895
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(2R,3S)-2-methyl-4-(quinolin-6-ylmethyl)morpholine-3-carboxylic acid
SMILESC[C@H]1OCCN(Cc2ccc3ncccc3c2)[C@@H]1C(=O)O
InChIInChI=1S/C16H18N2O3/c1-11-15(16(19)20)18(7-8-21-11)10-12-4-5-14-13(9-12)3-2-6-17-14/h2-6,9,11,15H,7-8,10H2,1H3,(H,19,20)/t11-,15+/m1/s1
InChIKeyZMQPHGRLNBODPP-ABAIWWIYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(quinolin-6-ylmethyl)piperidin-2-yl]acetic acid
CID 61010277
N'-hydroxy-4-(quinolin-6-ylmethyl)morpholine-2-carboximidamide
CID 79670544
6-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]quinoline
CID 102784654
2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine
CID 81210742
6-(1,3-dioxolan-2-ylmethyl)quinoline
CID 165178213
[4-methyl-1-(quinolin-6-ylmethyl)piperazin-2-yl]methanamine
CID 80504294
[1-(quinolin-6-ylmethyl)piperidin-2-yl]methanamine
CID 43209671
N'-hydroxy-1-(quinolin-6-ylmethyl)pyrrolidine-2-carboximidamide
CID 77036107
N-methyl-N-[1-(quinolin-6-ylmethyl)piperidin-4-yl]acetamide
CID 136519572
1-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(quinolin-6-ylmethyl)urea
CID 99840657
N'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-carboximidamide
CID 77036050
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-4-(quinolin-6-ylmethyl)morpholine-3-carboxylic acid?
The IUPAC name of (2R,3S)-2-methyl-4-(quinolin-6-ylmethyl)morpholine-3-carboxylic acid (CID 167968895) is (2R,3S)-2-methyl-4-(quinolin-6-ylmethyl)morpholine-3-carboxylic acid.
What is the SMILES notation for (2R,3S)-2-methyl-4-(quinolin-6-ylmethyl)morpholine-3-carboxylic acid?
The canonical SMILES for (2R,3S)-2-methyl-4-(quinolin-6-ylmethyl)morpholine-3-carboxylic acid is C[C@H]1OCCN(Cc2ccc3ncccc3c2)[C@@H]1C(=O)O.
What is the InChIKey of (2R,3S)-2-methyl-4-(quinolin-6-ylmethyl)morpholine-3-carboxylic acid?
The InChIKey is ZMQPHGRLNBODPP-ABAIWWIYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-15(16(19)20)18(7-8-21-11)10-12-4-5-14-13(9-12)3-2-6-17-14/h2-6,9,11,15H,7-8,10H2,1H3,(H,19,20)/t11-,15+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-4-(quinolin-6-ylmethyl)morpholine-3-carboxylic acid?
(2R,3S)-2-methyl-4-(quinolin-6-ylmethyl)morpholine-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-4-(quinolin-6-ylmethyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 167968895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).