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

C23H18ClN3O — CID 2537344

IUPAC2-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCc1ccccn1)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C23H18ClN3O/c24-20-10-3-1-9-18(20)22-15-19(17-8-2-4-11-21(17)27-22)23(28)26-14-12-16-7-5-6-13-25-16/h1-11,13,15H,12,14H2,(H,26,28)
InChIKeyQJTXVYDJIMSFEW-UHFFFAOYSA-N
MW387.87 g/mol
LogP4.92
Rot. Bonds5

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

2-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide (PubChem CID 2537344) has the molecular formula C23H18ClN3O and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide
PubChem CID2537344
Molecular FormulaC23H18ClN3O
Molecular Weight387.87 g/mol
Exact Mass387.11
IUPAC Name2-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCc1ccccn1)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C23H18ClN3O/c24-20-10-3-1-9-18(20)22-15-19(17-8-2-4-11-21(17)27-22)23(28)26-14-12-16-7-5-6-13-25-16/h1-11,13,15H,12,14H2,(H,26,28)
InChIKeyQJTXVYDJIMSFEW-UHFFFAOYSA-N
XLogP4.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide (CID 2537344) is 2-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide is O=C(NCCc1ccccn1)c1cc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide?
The InChIKey is QJTXVYDJIMSFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O/c24-20-10-3-1-9-18(20)22-15-19(17-8-2-4-11-21(17)27-22)23(28)26-14-12-16-7-5-6-13-25-16/h1-11,13,15H,12,14H2,(H,26,28).
What are the key properties of 2-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide?
2-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 2537344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).