1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

C17H21NO3 — CID 45382534

IUPAC1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1CCCN2C(=O)C1CCCCC1
InChIInChI=1S/C17H21NO3/c19-16(12-6-2-1-3-7-12)18-11-5-9-13-14(17(20)21)8-4-10-15(13)18/h4,8,10,12H,1-3,5-7,9,11H2,(H,20,21)
InChIKeyMRHJFVJZTITONU-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.24
Rot. Bonds2

About 1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (PubChem CID 45382534) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
PubChem CID45382534
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1CCCN2C(=O)C1CCCCC1
InChIInChI=1S/C17H21NO3/c19-16(12-6-2-1-3-7-12)18-11-5-9-13-14(17(20)21)8-4-10-15(13)18/h4,8,10,12H,1-3,5-7,9,11H2,(H,20,21)
InChIKeyMRHJFVJZTITONU-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (CID 45382534) is 1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is O=C(O)c1cccc2c1CCCN2C(=O)C1CCCCC1.
What is the InChIKey of 1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The InChIKey is MRHJFVJZTITONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-16(12-6-2-1-3-7-12)18-11-5-9-13-14(17(20)21)8-4-10-15(13)18/h4,8,10,12H,1-3,5-7,9,11H2,(H,20,21).
What are the key properties of 1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 45382534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).