4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexane-1-carboxylic acid

C15H20N2O2 — CID 117030843

IUPAC4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(N2CCNc3ccccc32)CC1
InChIInChI=1S/C15H20N2O2/c18-15(19)11-5-7-12(8-6-11)17-10-9-16-13-3-1-2-4-14(13)17/h1-4,11-12,16H,5-10H2,(H,18,19)
InChIKeyPVCLADLRRPXAPL-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.56
Rot. Bonds2

About 4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexane-1-carboxylic acid

4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 117030843) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID117030843
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(N2CCNc3ccccc32)CC1
InChIInChI=1S/C15H20N2O2/c18-15(19)11-5-7-12(8-6-11)17-10-9-16-13-3-1-2-4-14(13)17/h1-4,11-12,16H,5-10H2,(H,18,19)
InChIKeyPVCLADLRRPXAPL-UHFFFAOYSA-N
XLogP2.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexane-1-carboxylic acid (CID 117030843) is 4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(N2CCNc3ccccc32)CC1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is PVCLADLRRPXAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(19)11-5-7-12(8-6-11)17-10-9-16-13-3-1-2-4-14(13)17/h1-4,11-12,16H,5-10H2,(H,18,19).
What are the key properties of 4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexane-1-carboxylic acid?
4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117030843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).