ethyl 4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylate

C25H30N4O3 — CID 122193392

IUPACethyl 4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1Nc1ccc(NCCCN2CCOCC2)cc1
InChIInChI=1S/C25H30N4O3/c1-2-32-25(30)22-18-27-23-7-4-3-6-21(23)24(22)28-20-10-8-19(9-11-20)26-12-5-13-29-14-16-31-17-15-29/h3-4,6-11,18,26H,2,5,12-17H2,1H3,(H,27,28)
InChIKeyUCTPEQXARFGGLA-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.29
Rot. Bonds9

About ethyl 4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylate

ethyl 4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylate (PubChem CID 122193392) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is ethyl 4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylate
PubChem CID122193392
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Nameethyl 4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1Nc1ccc(NCCCN2CCOCC2)cc1
InChIInChI=1S/C25H30N4O3/c1-2-32-25(30)22-18-27-23-7-4-3-6-21(23)24(22)28-20-10-8-19(9-11-20)26-12-5-13-29-14-16-31-17-15-29/h3-4,6-11,18,26H,2,5,12-17H2,1H3,(H,27,28)
InChIKeyUCTPEQXARFGGLA-UHFFFAOYSA-N
XLogP4.29
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylate?
The IUPAC name of ethyl 4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylate (CID 122193392) is ethyl 4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylate is CCOC(=O)c1cnc2ccccc2c1Nc1ccc(NCCCN2CCOCC2)cc1.
What is the InChIKey of ethyl 4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylate?
The InChIKey is UCTPEQXARFGGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-2-32-25(30)22-18-27-23-7-4-3-6-21(23)24(22)28-20-10-8-19(9-11-20)26-12-5-13-29-14-16-31-17-15-29/h3-4,6-11,18,26H,2,5,12-17H2,1H3,(H,27,28).
What are the key properties of ethyl 4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylate?
ethyl 4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylate has a molecular weight of 434.54 g/mol, XLogP of 4.29, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carboxylate is sourced from PubChem (CID 122193392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).