4-[3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]benzamide

C23H21N3O3 — CID 69311793

IUPAC4-[3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]benzamide
SMILESNC(=O)c1ccc(C(=O)C=Cc2cc(N3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C23H21N3O3/c24-23(28)17-7-5-16(6-8-17)22(27)10-9-18-15-21(26-11-13-29-14-12-26)19-3-1-2-4-20(19)25-18/h1-10,15H,11-14H2,(H2,24,28)
InChIKeyKTCKJUIETBYPSF-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.07
Rot. Bonds5

About 4-[3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]benzamide

4-[3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]benzamide (PubChem CID 69311793) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-[3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]benzamide.

Molecular Properties

Compound Name4-[3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]benzamide
PubChem CID69311793
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name4-[3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]benzamide
SMILESNC(=O)c1ccc(C(=O)C=Cc2cc(N3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C23H21N3O3/c24-23(28)17-7-5-16(6-8-17)22(27)10-9-18-15-21(26-11-13-29-14-12-26)19-3-1-2-4-20(19)25-18/h1-10,15H,11-14H2,(H2,24,28)
InChIKeyKTCKJUIETBYPSF-UHFFFAOYSA-N
XLogP3.07
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]benzamide 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 4-[3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]benzamide?
The IUPAC name of 4-[3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]benzamide (CID 69311793) is 4-[3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]benzamide.
What is the SMILES notation for 4-[3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]benzamide?
The canonical SMILES for 4-[3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]benzamide is NC(=O)c1ccc(C(=O)C=Cc2cc(N3CCOCC3)c3ccccc3n2)cc1.
What is the InChIKey of 4-[3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]benzamide?
The InChIKey is KTCKJUIETBYPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c24-23(28)17-7-5-16(6-8-17)22(27)10-9-18-15-21(26-11-13-29-14-12-26)19-3-1-2-4-20(19)25-18/h1-10,15H,11-14H2,(H2,24,28).
What are the key properties of 4-[3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]benzamide?
4-[3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]benzamide has a molecular weight of 387.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]benzamide is sourced from PubChem (CID 69311793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).