2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxylic acid

C17H21NO3 — CID 2856877

IUPAC2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C17H21NO3/c19-16(13-8-2-3-9-14(13)17(20)21)18-11-5-7-12-6-1-4-10-15(12)18/h1,4,6,10,13-14H,2-3,5,7-9,11H2,(H,20,21)
InChIKeyHZTXZXRKICEPTA-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.86
Rot. Bonds2

About 2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxylic acid

2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 2856877) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID2856877
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C17H21NO3/c19-16(13-8-2-3-9-14(13)17(20)21)18-11-5-7-12-6-1-4-10-15(12)18/h1,4,6,10,13-14H,2-3,5,7-9,11H2,(H,20,21)
InChIKeyHZTXZXRKICEPTA-UHFFFAOYSA-N
XLogP2.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxylic acid (CID 2856877) is 2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)N1CCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is HZTXZXRKICEPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-16(13-8-2-3-9-14(13)17(20)21)18-11-5-7-12-6-1-4-10-15(12)18/h1,4,6,10,13-14H,2-3,5,7-9,11H2,(H,20,21).
What are the key properties of 2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxylic acid?
2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2856877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).