2-oxo-1-(quinolin-8-ylmethyl)cyclohexane-1-carboxylic acid

C17H17NO3 — CID 103574856

IUPAC2-oxo-1-(quinolin-8-ylmethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Cc2cccc3cccnc23)CCCCC1=O
InChIInChI=1S/C17H17NO3/c19-14-8-1-2-9-17(14,16(20)21)11-13-6-3-5-12-7-4-10-18-15(12)13/h3-7,10H,1-2,8-9,11H2,(H,20,21)
InChIKeyNSYUKJHLLQUXSF-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.99
Rot. Bonds3

About 2-oxo-1-(quinolin-8-ylmethyl)cyclohexane-1-carboxylic acid

2-oxo-1-(quinolin-8-ylmethyl)cyclohexane-1-carboxylic acid (PubChem CID 103574856) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-oxo-1-(quinolin-8-ylmethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-(quinolin-8-ylmethyl)cyclohexane-1-carboxylic acid
PubChem CID103574856
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-oxo-1-(quinolin-8-ylmethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Cc2cccc3cccnc23)CCCCC1=O
InChIInChI=1S/C17H17NO3/c19-14-8-1-2-9-17(14,16(20)21)11-13-6-3-5-12-7-4-10-18-15(12)13/h3-7,10H,1-2,8-9,11H2,(H,20,21)
InChIKeyNSYUKJHLLQUXSF-UHFFFAOYSA-N
XLogP2.99
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(quinolin-8-ylmethyl)cycloheptane-1-carboxylic acid
CID 79423211
1-(quinolin-8-ylmethyl)cyclohexan-1-amine
CID 114277682
3-acetyl-3-(quinolin-8-ylmethyl)oxolan-2-one
CID 103343585
1-amino-N-(2-quinolin-8-ylethyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119840573
3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17450906
1-phenyl-2-quinolin-8-ylethanone
CID 171934139
9,9-dioxo-3-(quinolin-8-ylmethyl)-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171962807
4-[[(2-quinolin-8-ylacetyl)amino]methyl]oxane-4-carboxylic acid
CID 120543383
2-(quinolin-8-ylmethylamino)acetic acid
CID 43135065
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
CID 121229149
aluminum quinolin-8-ylmethanol
CID 23124809
1-phenyl-N-quinolin-8-ylcyclopentane-1-carboxamide
CID 17027296

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(quinolin-8-ylmethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-oxo-1-(quinolin-8-ylmethyl)cyclohexane-1-carboxylic acid (CID 103574856) is 2-oxo-1-(quinolin-8-ylmethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-oxo-1-(quinolin-8-ylmethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-oxo-1-(quinolin-8-ylmethyl)cyclohexane-1-carboxylic acid is O=C(O)C1(Cc2cccc3cccnc23)CCCCC1=O.
What is the InChIKey of 2-oxo-1-(quinolin-8-ylmethyl)cyclohexane-1-carboxylic acid?
The InChIKey is NSYUKJHLLQUXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-14-8-1-2-9-17(14,16(20)21)11-13-6-3-5-12-7-4-10-18-15(12)13/h3-7,10H,1-2,8-9,11H2,(H,20,21).
What are the key properties of 2-oxo-1-(quinolin-8-ylmethyl)cyclohexane-1-carboxylic acid?
2-oxo-1-(quinolin-8-ylmethyl)cyclohexane-1-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(quinolin-8-ylmethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103574856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).