ethane;2-[4-[[(3-ethenylquinolin-2-yl)-ethylamino]methyl]cyclohexyl]acetic acid

C24H34N2O2 — CID 143574044

IUPACethane;2-[4-[[(3-ethenylquinolin-2-yl)-ethylamino]methyl]cyclohexyl]acetic acid
SMILESC=Cc1cc2ccccc2nc1N(CC)CC1CCC(CC(=O)O)CC1.CC
InChIInChI=1S/C22H28N2O2.C2H6/c1-3-18-14-19-7-5-6-8-20(19)23-22(18)24(4-2)15-17-11-9-16(10-12-17)13-21(25)26;1-2/h3,5-8,14,16-17H,1,4,9-13,15H2,2H3,(H,25,26);1-2H3
InChIKeySCPOYPOEHBLJHG-UHFFFAOYSA-N
MW382.55 g/mol
LogP6.01
Rot. Bonds7

About ethane;2-[4-[[(3-ethenylquinolin-2-yl)-ethylamino]methyl]cyclohexyl]acetic acid

ethane;2-[4-[[(3-ethenylquinolin-2-yl)-ethylamino]methyl]cyclohexyl]acetic acid (PubChem CID 143574044) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is ethane;2-[4-[[(3-ethenylquinolin-2-yl)-ethylamino]methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Nameethane;2-[4-[[(3-ethenylquinolin-2-yl)-ethylamino]methyl]cyclohexyl]acetic acid
PubChem CID143574044
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Nameethane;2-[4-[[(3-ethenylquinolin-2-yl)-ethylamino]methyl]cyclohexyl]acetic acid
SMILESC=Cc1cc2ccccc2nc1N(CC)CC1CCC(CC(=O)O)CC1.CC
InChIInChI=1S/C22H28N2O2.C2H6/c1-3-18-14-19-7-5-6-8-20(19)23-22(18)24(4-2)15-17-11-9-16(10-12-17)13-21(25)26;1-2/h3,5-8,14,16-17H,1,4,9-13,15H2,2H3,(H,25,26);1-2H3
InChIKeySCPOYPOEHBLJHG-UHFFFAOYSA-N
XLogP6.01
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;2-[4-[[(3-ethenylquinolin-2-yl)-ethylamino]methyl]cyclohexyl]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-[[(3-ethenylquinolin-2-yl)-ethylamino]methyl]cyclohexyl]acetic acid?
The IUPAC name of ethane;2-[4-[[(3-ethenylquinolin-2-yl)-ethylamino]methyl]cyclohexyl]acetic acid (CID 143574044) is ethane;2-[4-[[(3-ethenylquinolin-2-yl)-ethylamino]methyl]cyclohexyl]acetic acid.
What is the SMILES notation for ethane;2-[4-[[(3-ethenylquinolin-2-yl)-ethylamino]methyl]cyclohexyl]acetic acid?
The canonical SMILES for ethane;2-[4-[[(3-ethenylquinolin-2-yl)-ethylamino]methyl]cyclohexyl]acetic acid is C=Cc1cc2ccccc2nc1N(CC)CC1CCC(CC(=O)O)CC1.CC.
What is the InChIKey of ethane;2-[4-[[(3-ethenylquinolin-2-yl)-ethylamino]methyl]cyclohexyl]acetic acid?
The InChIKey is SCPOYPOEHBLJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2.C2H6/c1-3-18-14-19-7-5-6-8-20(19)23-22(18)24(4-2)15-17-11-9-16(10-12-17)13-21(25)26;1-2/h3,5-8,14,16-17H,1,4,9-13,15H2,2H3,(H,25,26);1-2H3.
What are the key properties of ethane;2-[4-[[(3-ethenylquinolin-2-yl)-ethylamino]methyl]cyclohexyl]acetic acid?
ethane;2-[4-[[(3-ethenylquinolin-2-yl)-ethylamino]methyl]cyclohexyl]acetic acid has a molecular weight of 382.55 g/mol, XLogP of 6.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-[[(3-ethenylquinolin-2-yl)-ethylamino]methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 143574044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).