2-methyl-4-(6-propan-2-yloxyquinolin-4-yl)morpholine-2-carboxylic acid

C18H22N2O4 — CID 138051639

IUPAC2-methyl-4-(6-propan-2-yloxyquinolin-4-yl)morpholine-2-carboxylic acid
SMILESCC(C)Oc1ccc2nccc(N3CCOC(C)(C(=O)O)C3)c2c1
InChIInChI=1S/C18H22N2O4/c1-12(2)24-13-4-5-15-14(10-13)16(6-7-19-15)20-8-9-23-18(3,11-20)17(21)22/h4-7,10,12H,8-9,11H2,1-3H3,(H,21,22)
InChIKeyBVAFEMFATJXUGE-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.70
Rot. Bonds4

About 2-methyl-4-(6-propan-2-yloxyquinolin-4-yl)morpholine-2-carboxylic acid

2-methyl-4-(6-propan-2-yloxyquinolin-4-yl)morpholine-2-carboxylic acid (PubChem CID 138051639) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-methyl-4-(6-propan-2-yloxyquinolin-4-yl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-(6-propan-2-yloxyquinolin-4-yl)morpholine-2-carboxylic acid
PubChem CID138051639
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name2-methyl-4-(6-propan-2-yloxyquinolin-4-yl)morpholine-2-carboxylic acid
SMILESCC(C)Oc1ccc2nccc(N3CCOC(C)(C(=O)O)C3)c2c1
InChIInChI=1S/C18H22N2O4/c1-12(2)24-13-4-5-15-14(10-13)16(6-7-19-15)20-8-9-23-18(3,11-20)17(21)22/h4-7,10,12H,8-9,11H2,1-3H3,(H,21,22)
InChIKeyBVAFEMFATJXUGE-UHFFFAOYSA-N
XLogP2.70
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-propan-2-yloxyquinolin-4-yl)azetidine-3-carboxylic acid
CID 122064350
1-[1-(6-propan-2-yloxyquinolin-4-yl)pyrrolidin-3-yl]triazole-4-carboxylic acid
CID 146134060
(2R)-2-[(6-propan-2-yloxyquinolin-4-yl)amino]propanoic acid
CID 122049854
4-(7-chloroquinolin-4-yl)-2,2-dimethylmorpholine
CID 78871227
1-(7-fluoro-6-methoxyquinolin-4-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052611
N-[2-chloro-5-[4-(2,2-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 44608755
N,2-dimethyl-4-(4-propan-2-yloxybenzoyl)morpholine-2-carboxamide
CID 110106977
2-(aminomethyl)-6-propan-2-yloxyquinoline-4-carboxylic acid
CID 84638076
2-(2,2-dimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid
CID 107553663
6-(3-hydroxy-3-methylazetidin-1-yl)quinoline-4-carboxylic acid
CID 164532677
2-[4-(6,7-dimethoxyquinolin-4-yl)piperazin-1-yl]propylsulfamoylcarbamic acid
CID 155125446
(3S)-1-(6-methoxyquinolin-4-yl)-N-methylpyrrolidin-3-amine
CID 66954288

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(6-propan-2-yloxyquinolin-4-yl)morpholine-2-carboxylic acid?
The IUPAC name of 2-methyl-4-(6-propan-2-yloxyquinolin-4-yl)morpholine-2-carboxylic acid (CID 138051639) is 2-methyl-4-(6-propan-2-yloxyquinolin-4-yl)morpholine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-4-(6-propan-2-yloxyquinolin-4-yl)morpholine-2-carboxylic acid?
The canonical SMILES for 2-methyl-4-(6-propan-2-yloxyquinolin-4-yl)morpholine-2-carboxylic acid is CC(C)Oc1ccc2nccc(N3CCOC(C)(C(=O)O)C3)c2c1.
What is the InChIKey of 2-methyl-4-(6-propan-2-yloxyquinolin-4-yl)morpholine-2-carboxylic acid?
The InChIKey is BVAFEMFATJXUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12(2)24-13-4-5-15-14(10-13)16(6-7-19-15)20-8-9-23-18(3,11-20)17(21)22/h4-7,10,12H,8-9,11H2,1-3H3,(H,21,22).
What are the key properties of 2-methyl-4-(6-propan-2-yloxyquinolin-4-yl)morpholine-2-carboxylic acid?
2-methyl-4-(6-propan-2-yloxyquinolin-4-yl)morpholine-2-carboxylic acid has a molecular weight of 330.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(6-propan-2-yloxyquinolin-4-yl)morpholine-2-carboxylic acid is sourced from PubChem (CID 138051639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).