N-[2-(4-chlorophenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide

C23H18ClN3O — CID 5072967

IUPACN-[2-(4-chlorophenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C23H18ClN3O/c24-17-10-8-16(9-11-17)12-14-26-23(28)19-15-22(21-7-3-4-13-25-21)27-20-6-2-1-5-18(19)20/h1-11,13,15H,12,14H2,(H,26,28)
InChIKeyYNGIGKPRMXIZGU-UHFFFAOYSA-N
MW387.87 g/mol
LogP4.92
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 5072967) has the molecular formula C23H18ClN3O and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID5072967
Molecular FormulaC23H18ClN3O
Molecular Weight387.87 g/mol
Exact Mass387.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C23H18ClN3O/c24-17-10-8-16(9-11-17)12-14-26-23(28)19-15-22(21-7-3-4-13-25-21)27-20-6-2-1-5-18(19)20/h1-11,13,15H,12,14H2,(H,26,28)
InChIKeyYNGIGKPRMXIZGU-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 N-[2-(4-chlorophenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide (CID 5072967) is N-[2-(4-chlorophenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is YNGIGKPRMXIZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O/c24-17-10-8-16(9-11-17)12-14-26-23(28)19-15-22(21-7-3-4-13-25-21)27-20-6-2-1-5-18(19)20/h1-11,13,15H,12,14H2,(H,26,28).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-2-pyridin-2-ylquinoline-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 N-[2-(4-chlorophenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 5072967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).