4-[(6,7-dichloroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid

C15H15Cl2N3O2 — CID 122060005

IUPAC4-[(6,7-dichloroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2cnc3cc(Cl)c(Cl)cc3n2)CC1
InChIInChI=1S/C15H15Cl2N3O2/c16-10-5-12-13(6-11(10)17)20-14(7-18-12)19-9-3-1-8(2-4-9)15(21)22/h5-9H,1-4H2,(H,19,20)(H,21,22)
InChIKeyXHFFUVAXAPIXHS-UHFFFAOYSA-N
MW340.21 g/mol
LogP3.99
Rot. Bonds3

About 4-[(6,7-dichloroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid

4-[(6,7-dichloroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 122060005) has the molecular formula C15H15Cl2N3O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is 4-[(6,7-dichloroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(6,7-dichloroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID122060005
Molecular FormulaC15H15Cl2N3O2
Molecular Weight340.21 g/mol
Exact Mass339.05
IUPAC Name4-[(6,7-dichloroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2cnc3cc(Cl)c(Cl)cc3n2)CC1
InChIInChI=1S/C15H15Cl2N3O2/c16-10-5-12-13(6-11(10)17)20-14(7-18-12)19-9-3-1-8(2-4-9)15(21)22/h5-9H,1-4H2,(H,19,20)(H,21,22)
InChIKeyXHFFUVAXAPIXHS-UHFFFAOYSA-N
XLogP3.99
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(6,7-dichloroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-Chloro-4-fluorophenyl)amino]-6-[trans-4-carboxycyclohexylamino]pyrimido[5,4-d]pyrimidine
CID 18967326
4-[[4-(3-Chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]amino]cyclohexane-1-carboxylic acid
CID 67627136
4-[[4-(3-Chloro-4-fluoroanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]cyclohexane-1-carboxylic acid
CID 142637898
4-[(6,7-Difluoroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 122060103
4-[(4-Amino-3,5-dichlorophenyl)amino]-6-[(trans-4-carboxycyclohexyl)amino]pyrimido[5,4-d]pyrimidine
CID 18967352
4-[[4-(3,4-Dichloroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexane-1-carboxylic acid
CID 19709181
4-[[4-(3-Chloroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexane-1-carboxylic acid
CID 19709192
4-(Quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid
CID 62033559
Methyl 4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylate
CID 115616832
1-(6,7-Dichloroquinoxalin-2-yl)piperidine-4-carboxylic acid
CID 122047407
1-(6,7-Dichloroquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 122051103
(2R)-1-(6,7-dichloroquinoxalin-2-yl)pyrrolidine-2-carboxylic acid
CID 122051740

Frequently Asked Questions

What is the IUPAC name of 4-[(6,7-dichloroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(6,7-dichloroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid (CID 122060005) is 4-[(6,7-dichloroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(6,7-dichloroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(6,7-dichloroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(Nc2cnc3cc(Cl)c(Cl)cc3n2)CC1.
What is the InChIKey of 4-[(6,7-dichloroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is XHFFUVAXAPIXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2/c16-10-5-12-13(6-11(10)17)20-14(7-18-12)19-9-3-1-8(2-4-9)15(21)22/h5-9H,1-4H2,(H,19,20)(H,21,22).
What are the key properties of 4-[(6,7-dichloroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid?
4-[(6,7-dichloroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 340.21 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,7-dichloroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122060005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).