2-(3-chlorophenyl)-4-ethoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide

C25H28ClN3O3 — CID 46318912

IUPAC2-(3-chlorophenyl)-4-ethoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide
SMILESCCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)NCCCN3CCOCC3)cc12
InChIInChI=1S/C25H28ClN3O3/c1-2-32-24-17-23(18-5-3-6-20(26)15-18)28-22-8-7-19(16-21(22)24)25(30)27-9-4-10-29-11-13-31-14-12-29/h3,5-8,15-17H,2,4,9-14H2,1H3,(H,27,30)
InChIKeyKXBHXZGLPXIBHV-UHFFFAOYSA-N
MW453.97 g/mol
LogP4.41
Rot. Bonds8

About 2-(3-chlorophenyl)-4-ethoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide

2-(3-chlorophenyl)-4-ethoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide (PubChem CID 46318912) has the molecular formula C25H28ClN3O3 and a molecular weight of 453.97 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-ethoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-ethoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide
PubChem CID46318912
Molecular FormulaC25H28ClN3O3
Molecular Weight453.97 g/mol
Exact Mass453.18
IUPAC Name2-(3-chlorophenyl)-4-ethoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide
SMILESCCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)NCCCN3CCOCC3)cc12
InChIInChI=1S/C25H28ClN3O3/c1-2-32-24-17-23(18-5-3-6-20(26)15-18)28-22-8-7-19(16-21(22)24)25(30)27-9-4-10-29-11-13-31-14-12-29/h3,5-8,15-17H,2,4,9-14H2,1H3,(H,27,30)
InChIKeyKXBHXZGLPXIBHV-UHFFFAOYSA-N
XLogP4.41
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.97
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 100744644
[2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-(4-ethylpiperazin-1-yl)methanone
CID 46318971
[2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-piperidin-1-ylmethanone
CID 46318969
2-(3-chlorophenyl)-4-ethoxy-N-[(2R)-4-phenylbutan-2-yl]quinoline-6-carboxamide
CID 92867750
3,5-dichloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 17013971
4-(1H-benzo[f]benzimidazol-2-yl)-3-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 21100801
6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 121495695
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
3-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 118763152
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
methyl 3-(3-morpholin-4-ylpropylcarbamoyl)benzoate
CID 108786662
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-ethoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-4-ethoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide (CID 46318912) is 2-(3-chlorophenyl)-4-ethoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-4-ethoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-4-ethoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide is CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)NCCCN3CCOCC3)cc12.
What is the InChIKey of 2-(3-chlorophenyl)-4-ethoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide?
The InChIKey is KXBHXZGLPXIBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O3/c1-2-32-24-17-23(18-5-3-6-20(26)15-18)28-22-8-7-19(16-21(22)24)25(30)27-9-4-10-29-11-13-31-14-12-29/h3,5-8,15-17H,2,4,9-14H2,1H3,(H,27,30).
What are the key properties of 2-(3-chlorophenyl)-4-ethoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide?
2-(3-chlorophenyl)-4-ethoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide has a molecular weight of 453.97 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-ethoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide is sourced from PubChem (CID 46318912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).