2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide

C22H22ClN3O2 — CID 1294191

IUPAC2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C22H22ClN3O2/c23-19-7-3-1-6-17(19)21-15-18(16-5-2-4-8-20(16)25-21)22(27)24-9-10-26-11-13-28-14-12-26/h1-8,15H,9-14H2,(H,24,27)
InChIKeyZGRWQZSIYJOIEK-UHFFFAOYSA-N
MW395.89 g/mol
LogP3.62
Rot. Bonds5

About 2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide

2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide (PubChem CID 1294191) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
PubChem CID1294191
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C22H22ClN3O2/c23-19-7-3-1-6-17(19)21-15-18(16-5-2-4-8-20(16)25-21)22(27)24-9-10-26-11-13-28-14-12-26/h1-8,15H,9-14H2,(H,24,27)
InChIKeyZGRWQZSIYJOIEK-UHFFFAOYSA-N
XLogP3.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide (CID 1294191) is 2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide is O=C(NCCN1CCOCC1)c1cc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide?
The InChIKey is ZGRWQZSIYJOIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c23-19-7-3-1-6-17(19)21-15-18(16-5-2-4-8-20(16)25-21)22(27)24-9-10-26-11-13-28-14-12-26/h1-8,15H,9-14H2,(H,24,27).
What are the key properties of 2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide?
2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 1294191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).