2-[[3-[(3,8-dimethylquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid

C19H25N3O2 — CID 122061794

IUPAC2-[[3-[(3,8-dimethylquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(Nc2c(C)cnc3c(C)cccc23)C1
InChIInChI=1S/C19H25N3O2/c1-4-22(11-17(23)24)15-8-14(9-15)21-19-13(3)10-20-18-12(2)6-5-7-16(18)19/h5-7,10,14-15H,4,8-9,11H2,1-3H3,(H,20,21)(H,23,24)
InChIKeyCCQZFNRHYZFCBP-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.20
Rot. Bonds6

About 2-[[3-[(3,8-dimethylquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[(3,8-dimethylquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122061794) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[[3-[(3,8-dimethylquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(3,8-dimethylquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122061794
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-[[3-[(3,8-dimethylquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(Nc2c(C)cnc3c(C)cccc23)C1
InChIInChI=1S/C19H25N3O2/c1-4-22(11-17(23)24)15-8-14(9-15)21-19-13(3)10-20-18-12(2)6-5-7-16(18)19/h5-7,10,14-15H,4,8-9,11H2,1-3H3,(H,20,21)(H,23,24)
InChIKeyCCQZFNRHYZFCBP-UHFFFAOYSA-N
XLogP3.20
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[3-[(3,8-dimethylquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid with MolForge

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Related Compounds

2-[[3-[(3-chloro-2-pyridinyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122062041
2-[ethyl-[3-[(2-methyl-4-pyridinyl)amino]cyclobutyl]amino]acetic acid
CID 122061757
2-[ethyl-[3-[(4-oxo-3H-quinazolin-2-yl)amino]cyclobutyl]amino]acetic acid
CID 137061337
2-[ethyl-[3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]amino]acetic acid
CID 122062007
2-[ethyl-[3-[(2-methylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073443
2-[[3-[(6-chloro-3-cyanoquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061882
2-[ethyl-[3-(furo[3,2-c]pyridin-4-ylamino)cyclobutyl]amino]acetic acid
CID 122061885
2-[[3-[(6,7-dichloroquinoxalin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061780
2-[[3-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122061380
2-[[3-[3-(2,6-dichlorophenyl)propylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042418
2-[ethyl-[3-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122002450
2-[ethyl-[3-(2-methylsulfonylanilino)cyclobutyl]amino]acetic acid
CID 122062146

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(3,8-dimethylquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[(3,8-dimethylquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid (CID 122061794) is 2-[[3-[(3,8-dimethylquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[(3,8-dimethylquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[(3,8-dimethylquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(Nc2c(C)cnc3c(C)cccc23)C1.
What is the InChIKey of 2-[[3-[(3,8-dimethylquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is CCQZFNRHYZFCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-22(11-17(23)24)15-8-14(9-15)21-19-13(3)10-20-18-12(2)6-5-7-16(18)19/h5-7,10,14-15H,4,8-9,11H2,1-3H3,(H,20,21)(H,23,24).
What are the key properties of 2-[[3-[(3,8-dimethylquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[(3,8-dimethylquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 327.43 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(3,8-dimethylquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122061794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).