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'}

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Related Compounds

thiophen-2-ylmethyl N-[4-[3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]phenyl]carbamate
CID 67013987
4-morpholin-4-yl-2-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)phenyl]prop-1-enyl]quinoline-6-carboxylic acid
CID 141127616
ethyl N-[4-[3-(4-piperidin-1-ylquinolin-2-yl)prop-2-enoyl]phenyl]carbamate
CID 67014201
4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]benzoic acid
CID 69311769
1-(4-morpholin-4-ylquinolin-2-yl)cyclohexane-1-carboxamide
CID 69166304
(E)-3-(2-chloroquinolin-3-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 40564659
(E)-N-hydroxy-3-[6-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
CID 25206197
N-hydroxy-3-[6-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
CID 74428632
2-[2-(4-morpholin-4-yl-3-nitrophenyl)ethenyl]quinoline-4-carboxylic acid
CID 4833785
N'-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]oxamide
CID 67014396
(E)-3-(4-morpholin-4-ylnaphthalen-1-yl)prop-2-enoic acid
CID 122703391
1-(4-morpholin-4-ylphenyl)-3-[4-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 171481806

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).