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

C22H16ClN3O — CID 2164483

IUPAC2-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C22H16ClN3O/c23-19-10-3-1-9-17(19)21-13-18(16-8-2-4-11-20(16)26-21)22(27)25-14-15-7-5-6-12-24-15/h1-13H,14H2,(H,25,27)
InChIKeyVBHIFANQEUVTMC-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.88
Rot. Bonds4

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

2-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 2164483) has the molecular formula C22H16ClN3O and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
PubChem CID2164483
Molecular FormulaC22H16ClN3O
Molecular Weight373.84 g/mol
Exact Mass373.10
IUPAC Name2-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C22H16ClN3O/c23-19-10-3-1-9-17(19)21-13-18(16-8-2-4-11-20(16)26-21)22(27)25-14-15-7-5-6-12-24-15/h1-13H,14H2,(H,25,27)
InChIKeyVBHIFANQEUVTMC-UHFFFAOYSA-N
XLogP4.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.88
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-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide (CID 2164483) is 2-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide is O=C(NCc1ccccn1)c1cc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 2-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is VBHIFANQEUVTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O/c23-19-10-3-1-9-17(19)21-13-18(16-8-2-4-11-20(16)26-21)22(27)25-14-15-7-5-6-12-24-15/h1-13H,14H2,(H,25,27).
What are the key properties of 2-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
2-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 2164483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).