2-[[3-[(6,7-dichloroquinoxalin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid

C16H18Cl2N4O2 — CID 122061780

IUPAC2-[[3-[(6,7-dichloroquinoxalin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(Nc2cnc3cc(Cl)c(Cl)cc3n2)C1
InChIInChI=1S/C16H18Cl2N4O2/c1-2-22(8-16(23)24)10-3-9(4-10)20-15-7-19-13-5-11(17)12(18)6-14(13)21-15/h5-7,9-10H,2-4,8H2,1H3,(H,20,21)(H,23,24)
InChIKeyIEKCSZUUNKXHMW-UHFFFAOYSA-N
MW369.25 g/mol
LogP3.29
Rot. Bonds6

About 2-[[3-[(6,7-dichloroquinoxalin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[(6,7-dichloroquinoxalin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122061780) has the molecular formula C16H18Cl2N4O2 and a molecular weight of 369.25 g/mol. Its IUPAC name is 2-[[3-[(6,7-dichloroquinoxalin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(6,7-dichloroquinoxalin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122061780
Molecular FormulaC16H18Cl2N4O2
Molecular Weight369.25 g/mol
Exact Mass368.08
IUPAC Name2-[[3-[(6,7-dichloroquinoxalin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(Nc2cnc3cc(Cl)c(Cl)cc3n2)C1
InChIInChI=1S/C16H18Cl2N4O2/c1-2-22(8-16(23)24)10-3-9(4-10)20-15-7-19-13-5-11(17)12(18)6-14(13)21-15/h5-7,9-10H,2-4,8H2,1H3,(H,20,21)(H,23,24)
InChIKeyIEKCSZUUNKXHMW-UHFFFAOYSA-N
XLogP3.29
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[3-[(6,7-dichloroquinoxalin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid with MolForge

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Related Compounds

2-[cyclopropylmethyl-[3-(quinoxalin-2-ylamino)cyclobutyl]amino]acetic acid
CID 122061367
2-[[3-[(3-chloro-2-pyridinyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122062041
4-[(6,7-dichloroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 122060005
2-[ethyl-[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclobutyl]amino]acetic acid
CID 122061711
2-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122061797
2-[[3-[(6-chloro-3-cyanoquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061882
2-[[3-[(7-chloroquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061959
2-[ethyl-[3-[(2-methyl-4-pyridinyl)amino]cyclobutyl]amino]acetic acid
CID 122061757
2-[[3-[(3,8-dimethylquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061794
2-[ethyl-[3-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]cyclobutyl]amino]acetic acid
CID 122061941
2-[[3-[(4-tert-butylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061674
2-[[3-[(7-bromoquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061609

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(6,7-dichloroquinoxalin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[(6,7-dichloroquinoxalin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid (CID 122061780) is 2-[[3-[(6,7-dichloroquinoxalin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[(6,7-dichloroquinoxalin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[(6,7-dichloroquinoxalin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(Nc2cnc3cc(Cl)c(Cl)cc3n2)C1.
What is the InChIKey of 2-[[3-[(6,7-dichloroquinoxalin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is IEKCSZUUNKXHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O2/c1-2-22(8-16(23)24)10-3-9(4-10)20-15-7-19-13-5-11(17)12(18)6-14(13)21-15/h5-7,9-10H,2-4,8H2,1H3,(H,20,21)(H,23,24).
What are the key properties of 2-[[3-[(6,7-dichloroquinoxalin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[(6,7-dichloroquinoxalin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 369.25 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(6,7-dichloroquinoxalin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122061780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).