1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclohexane-1-carboxylic acid

C17H24N2O2 — CID 117466068

IUPAC1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclohexane-1-carboxylic acid
SMILESCN1CCN(C)c2cc(C3(C(=O)O)CCCCC3)ccc21
InChIInChI=1S/C17H24N2O2/c1-18-10-11-19(2)15-12-13(6-7-14(15)18)17(16(20)21)8-4-3-5-9-17/h6-7,12H,3-5,8-11H2,1-2H3,(H,20,21)
InChIKeyCCFLKJANWNEVTD-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.86
Rot. Bonds2

About 1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclohexane-1-carboxylic acid

1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclohexane-1-carboxylic acid (PubChem CID 117466068) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclohexane-1-carboxylic acid
PubChem CID117466068
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclohexane-1-carboxylic acid
SMILESCN1CCN(C)c2cc(C3(C(=O)O)CCCCC3)ccc21
InChIInChI=1S/C17H24N2O2/c1-18-10-11-19(2)15-12-13(6-7-14(15)18)17(16(20)21)8-4-3-5-9-17/h6-7,12H,3-5,8-11H2,1-2H3,(H,20,21)
InChIKeyCCFLKJANWNEVTD-UHFFFAOYSA-N
XLogP2.86
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid
CID 117474090
1-(3,4-diethylphenyl)cyclohexane-1-carboxylic acid
CID 117405456
[1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclopentyl]methanamine
CID 117403045
1-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)cyclobutane-1-carboxylic acid
CID 117401868
1-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117487174
1-(1,3-dimethylindazol-6-yl)cyclohexane-1-carboxylic acid
CID 117433820
1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117047079
1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117433813
1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 16769454
1-(1-methyl-2-oxo-3H-benzimidazol-5-yl)cyclopentane-1-carboxylic acid
CID 117404703
1-(3-chloro-1-methylindol-5-yl)cyclopentane-1-carboxylic acid
CID 117445299
1-[4-(1-methylpiperidin-4-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117463978

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclohexane-1-carboxylic acid (CID 117466068) is 1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclohexane-1-carboxylic acid is CN1CCN(C)c2cc(C3(C(=O)O)CCCCC3)ccc21.
What is the InChIKey of 1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclohexane-1-carboxylic acid?
The InChIKey is CCFLKJANWNEVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-18-10-11-19(2)15-12-13(6-7-14(15)18)17(16(20)21)8-4-3-5-9-17/h6-7,12H,3-5,8-11H2,1-2H3,(H,20,21).
What are the key properties of 1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclohexane-1-carboxylic acid?
1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclohexane-1-carboxylic acid has a molecular weight of 288.39 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117466068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).