1,2-dimethyl-2-(3-morpholin-4-ylphenyl)-3,4-dihydroquinoline-6-carboxylic acid

C22H26N2O3 — CID 141309239

IUPAC1,2-dimethyl-2-(3-morpholin-4-ylphenyl)-3,4-dihydroquinoline-6-carboxylic acid
SMILESCN1c2ccc(C(=O)O)cc2CCC1(C)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C22H26N2O3/c1-22(18-4-3-5-19(15-18)24-10-12-27-13-11-24)9-8-16-14-17(21(25)26)6-7-20(16)23(22)2/h3-7,14-15H,8-13H2,1-2H3,(H,25,26)
InChIKeyVMESOTUECVCTGN-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.52
Rot. Bonds3

About 1,2-dimethyl-2-(3-morpholin-4-ylphenyl)-3,4-dihydroquinoline-6-carboxylic acid

1,2-dimethyl-2-(3-morpholin-4-ylphenyl)-3,4-dihydroquinoline-6-carboxylic acid (PubChem CID 141309239) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1,2-dimethyl-2-(3-morpholin-4-ylphenyl)-3,4-dihydroquinoline-6-carboxylic acid.

Molecular Properties

Compound Name1,2-dimethyl-2-(3-morpholin-4-ylphenyl)-3,4-dihydroquinoline-6-carboxylic acid
PubChem CID141309239
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1,2-dimethyl-2-(3-morpholin-4-ylphenyl)-3,4-dihydroquinoline-6-carboxylic acid
SMILESCN1c2ccc(C(=O)O)cc2CCC1(C)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C22H26N2O3/c1-22(18-4-3-5-19(15-18)24-10-12-27-13-11-24)9-8-16-14-17(21(25)26)6-7-20(16)23(22)2/h3-7,14-15H,8-13H2,1-2H3,(H,25,26)
InChIKeyVMESOTUECVCTGN-UHFFFAOYSA-N
XLogP3.52
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 71684022
4-methyl-3-[(3-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
CID 51121483
lithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide
CID 159941307
(4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 110316193
4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 142713208
morpholin-4-yl-(3-morpholin-4-ylphenyl)methanone
CID 22057964
3,3-dimethyl-2-(4-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 53491833
3-ethyl-1-(3-morpholin-4-ylbenzoyl)piperidine-3-carboxylic acid
CID 72939313
2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylic acid
CID 155591603
4-[3-(1-isocyanatocyclobutyl)phenyl]morpholine
CID 117399521
4-[4-(3-methylphenyl)piperazin-1-yl]benzoic acid
CID 43826187
3-[(2-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 50767039

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2-(3-morpholin-4-ylphenyl)-3,4-dihydroquinoline-6-carboxylic acid?
The IUPAC name of 1,2-dimethyl-2-(3-morpholin-4-ylphenyl)-3,4-dihydroquinoline-6-carboxylic acid (CID 141309239) is 1,2-dimethyl-2-(3-morpholin-4-ylphenyl)-3,4-dihydroquinoline-6-carboxylic acid.
What is the SMILES notation for 1,2-dimethyl-2-(3-morpholin-4-ylphenyl)-3,4-dihydroquinoline-6-carboxylic acid?
The canonical SMILES for 1,2-dimethyl-2-(3-morpholin-4-ylphenyl)-3,4-dihydroquinoline-6-carboxylic acid is CN1c2ccc(C(=O)O)cc2CCC1(C)c1cccc(N2CCOCC2)c1.
What is the InChIKey of 1,2-dimethyl-2-(3-morpholin-4-ylphenyl)-3,4-dihydroquinoline-6-carboxylic acid?
The InChIKey is VMESOTUECVCTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-22(18-4-3-5-19(15-18)24-10-12-27-13-11-24)9-8-16-14-17(21(25)26)6-7-20(16)23(22)2/h3-7,14-15H,8-13H2,1-2H3,(H,25,26).
What are the key properties of 1,2-dimethyl-2-(3-morpholin-4-ylphenyl)-3,4-dihydroquinoline-6-carboxylic acid?
1,2-dimethyl-2-(3-morpholin-4-ylphenyl)-3,4-dihydroquinoline-6-carboxylic acid has a molecular weight of 366.46 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2-(3-morpholin-4-ylphenyl)-3,4-dihydroquinoline-6-carboxylic acid is sourced from PubChem (CID 141309239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).