1-[2-(2-methylcyclohexyl)oxyacetyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid

C19H25NO4 — CID 154742281

IUPAC1-[2-(2-methylcyclohexyl)oxyacetyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
SMILESCC1CCCCC1OCC(=O)N1CCC(C(=O)O)c2ccccc21
InChIInChI=1S/C19H25NO4/c1-13-6-2-5-9-17(13)24-12-18(21)20-11-10-15(19(22)23)14-7-3-4-8-16(14)20/h3-4,7-8,13,15,17H,2,5-6,9-12H2,1H3,(H,22,23)
InChIKeyHHRIBFDYXZHULG-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.19
Rot. Bonds4

About 1-[2-(2-methylcyclohexyl)oxyacetyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid

1-[2-(2-methylcyclohexyl)oxyacetyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid (PubChem CID 154742281) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 1-[2-(2-methylcyclohexyl)oxyacetyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methylcyclohexyl)oxyacetyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
PubChem CID154742281
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name1-[2-(2-methylcyclohexyl)oxyacetyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
SMILESCC1CCCCC1OCC(=O)N1CCC(C(=O)O)c2ccccc21
InChIInChI=1S/C19H25NO4/c1-13-6-2-5-9-17(13)24-12-18(21)20-11-10-15(19(22)23)14-7-3-4-8-16(14)20/h3-4,7-8,13,15,17H,2,5-6,9-12H2,1H3,(H,22,23)
InChIKeyHHRIBFDYXZHULG-UHFFFAOYSA-N
XLogP3.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 75504724
1-[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]-4-phenylpiperidine-4-carboxylic acid
CID 124693096
(4R)-1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 129395089
1-(dimethylaminocarbamoyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 83019475
(2R)-1-[2-(2-methylcyclohexyl)oxyacetyl]pyrrolidine-2-carboxylic acid
CID 119372189
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 71106683
1-[3-(2-oxo-1-pyridinyl)propanoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 154746476
1-(3-methyl-2,3-dihydroindol-1-yl)-2-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 75403700
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-methylcyclohexyl)oxyethanone;hydrochloride
CID 120733808
(3S)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]piperidine-3-carboxylic acid
CID 99639050
2-anilino-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119733412
1-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methoxyethanone
CID 104537325

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylcyclohexyl)oxyacetyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The IUPAC name of 1-[2-(2-methylcyclohexyl)oxyacetyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid (CID 154742281) is 1-[2-(2-methylcyclohexyl)oxyacetyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methylcyclohexyl)oxyacetyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-methylcyclohexyl)oxyacetyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid is CC1CCCCC1OCC(=O)N1CCC(C(=O)O)c2ccccc21.
What is the InChIKey of 1-[2-(2-methylcyclohexyl)oxyacetyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The InChIKey is HHRIBFDYXZHULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-13-6-2-5-9-17(13)24-12-18(21)20-11-10-15(19(22)23)14-7-3-4-8-16(14)20/h3-4,7-8,13,15,17H,2,5-6,9-12H2,1H3,(H,22,23).
What are the key properties of 1-[2-(2-methylcyclohexyl)oxyacetyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid?
1-[2-(2-methylcyclohexyl)oxyacetyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid has a molecular weight of 331.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylcyclohexyl)oxyacetyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid is sourced from PubChem (CID 154742281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).