ethyl 3-[[2-[4-[3-(dimethylamino)phenyl]phenyl]quinolin-4-yl]amino]propanoate

C28H29N3O2 — CID 143206537

IUPACethyl 3-[[2-[4-[3-(dimethylamino)phenyl]phenyl]quinolin-4-yl]amino]propanoate
SMILESCCOC(=O)CCNc1cc(-c2ccc(-c3cccc(N(C)C)c3)cc2)nc2ccccc12
InChIInChI=1S/C28H29N3O2/c1-4-33-28(32)16-17-29-27-19-26(30-25-11-6-5-10-24(25)27)21-14-12-20(13-15-21)22-8-7-9-23(18-22)31(2)3/h5-15,18-19H,4,16-17H2,1-3H3,(H,29,30)
InChIKeyAMVKOVZMFVQRON-UHFFFAOYSA-N
MW439.56 g/mol
LogP6.00
Rot. Bonds8

About ethyl 3-[[2-[4-[3-(dimethylamino)phenyl]phenyl]quinolin-4-yl]amino]propanoate

ethyl 3-[[2-[4-[3-(dimethylamino)phenyl]phenyl]quinolin-4-yl]amino]propanoate (PubChem CID 143206537) has the molecular formula C28H29N3O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is ethyl 3-[[2-[4-[3-(dimethylamino)phenyl]phenyl]quinolin-4-yl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-[4-[3-(dimethylamino)phenyl]phenyl]quinolin-4-yl]amino]propanoate
PubChem CID143206537
Molecular FormulaC28H29N3O2
Molecular Weight439.56 g/mol
Exact Mass439.23
IUPAC Nameethyl 3-[[2-[4-[3-(dimethylamino)phenyl]phenyl]quinolin-4-yl]amino]propanoate
SMILESCCOC(=O)CCNc1cc(-c2ccc(-c3cccc(N(C)C)c3)cc2)nc2ccccc12
InChIInChI=1S/C28H29N3O2/c1-4-33-28(32)16-17-29-27-19-26(30-25-11-6-5-10-24(25)27)21-14-12-20(13-15-21)22-8-7-9-23(18-22)31(2)3/h5-15,18-19H,4,16-17H2,1-3H3,(H,29,30)
InChIKeyAMVKOVZMFVQRON-UHFFFAOYSA-N
XLogP6.00
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[[2-[4-[3-(dimethylamino)phenyl]phenyl]quinolin-4-yl]amino]propanoate 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 ethyl 3-[[2-[4-[3-(dimethylamino)phenyl]phenyl]quinolin-4-yl]amino]propanoate?
The IUPAC name of ethyl 3-[[2-[4-[3-(dimethylamino)phenyl]phenyl]quinolin-4-yl]amino]propanoate (CID 143206537) is ethyl 3-[[2-[4-[3-(dimethylamino)phenyl]phenyl]quinolin-4-yl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[2-[4-[3-(dimethylamino)phenyl]phenyl]quinolin-4-yl]amino]propanoate?
The canonical SMILES for ethyl 3-[[2-[4-[3-(dimethylamino)phenyl]phenyl]quinolin-4-yl]amino]propanoate is CCOC(=O)CCNc1cc(-c2ccc(-c3cccc(N(C)C)c3)cc2)nc2ccccc12.
What is the InChIKey of ethyl 3-[[2-[4-[3-(dimethylamino)phenyl]phenyl]quinolin-4-yl]amino]propanoate?
The InChIKey is AMVKOVZMFVQRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2/c1-4-33-28(32)16-17-29-27-19-26(30-25-11-6-5-10-24(25)27)21-14-12-20(13-15-21)22-8-7-9-23(18-22)31(2)3/h5-15,18-19H,4,16-17H2,1-3H3,(H,29,30).
What are the key properties of ethyl 3-[[2-[4-[3-(dimethylamino)phenyl]phenyl]quinolin-4-yl]amino]propanoate?
ethyl 3-[[2-[4-[3-(dimethylamino)phenyl]phenyl]quinolin-4-yl]amino]propanoate has a molecular weight of 439.56 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-[4-[3-(dimethylamino)phenyl]phenyl]quinolin-4-yl]amino]propanoate is sourced from PubChem (CID 143206537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).