6-chloro-N-[(4-chlorophenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide

C22H15Cl2N3O — CID 50798226

IUPAC6-chloro-N-[(4-chlorophenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc(-c2cccnc2)nc2ccc(Cl)cc12
InChIInChI=1S/C22H15Cl2N3O/c23-16-5-3-14(4-6-16)12-26-22(28)19-11-21(15-2-1-9-25-13-15)27-20-8-7-17(24)10-18(19)20/h1-11,13H,12H2,(H,26,28)
InChIKeyACXHBWZVWNPYIJ-UHFFFAOYSA-N
MW408.29 g/mol
LogP5.53
Rot. Bonds4

About 6-chloro-N-[(4-chlorophenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide

6-chloro-N-[(4-chlorophenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 50798226) has the molecular formula C22H15Cl2N3O and a molecular weight of 408.29 g/mol. Its IUPAC name is 6-chloro-N-[(4-chlorophenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(4-chlorophenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID50798226
Molecular FormulaC22H15Cl2N3O
Molecular Weight408.29 g/mol
Exact Mass407.06
IUPAC Name6-chloro-N-[(4-chlorophenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc(-c2cccnc2)nc2ccc(Cl)cc12
InChIInChI=1S/C22H15Cl2N3O/c23-16-5-3-14(4-6-16)12-26-22(28)19-11-21(15-2-1-9-25-13-15)27-20-8-7-17(24)10-18(19)20/h1-11,13H,12H2,(H,26,28)
InChIKeyACXHBWZVWNPYIJ-UHFFFAOYSA-N
XLogP5.53
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.29
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[(4-chlorophenyl)methyl]-2-phenylquinoline-4-carboxamide
CID 4632644
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
6-chloro-N-naphthalen-2-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25179905
N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798269
N-(2-adamantyl)-6-chloro-2-pyridin-3-ylquinoline-4-carboxamide
CID 1261284
N-[(3-carbamoylphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 32636575
6-chloro-N-morpholin-4-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 1261356
6-chloro-N-(1-piperidin-1-ylpropan-2-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 2965508
6-chloro-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2965443
N-[(4-chlorophenyl)methyl]-2-[(7-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 71181264
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-chlorophenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 6-chloro-N-[(4-chlorophenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide (CID 50798226) is 6-chloro-N-[(4-chlorophenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[(4-chlorophenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 6-chloro-N-[(4-chlorophenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cc(-c2cccnc2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-N-[(4-chlorophenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is ACXHBWZVWNPYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N3O/c23-16-5-3-14(4-6-16)12-26-22(28)19-11-21(15-2-1-9-25-13-15)27-20-8-7-17(24)10-18(19)20/h1-11,13H,12H2,(H,26,28).
What are the key properties of 6-chloro-N-[(4-chlorophenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide?
6-chloro-N-[(4-chlorophenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 408.29 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-chlorophenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 50798226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).