6-chloro-N-naphthalen-2-yl-2-pyridin-3-ylquinoline-4-carboxamide

C25H16ClN3O — CID 25179905

IUPAC6-chloro-N-naphthalen-2-yl-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)c1cc(-c2cccnc2)nc2ccc(Cl)cc12
InChIInChI=1S/C25H16ClN3O/c26-19-8-10-23-21(13-19)22(14-24(29-23)18-6-3-11-27-15-18)25(30)28-20-9-7-16-4-1-2-5-17(16)12-20/h1-15H,(H,28,30)
InChIKeyLTAVMGJPWSCBBM-UHFFFAOYSA-N
MW409.88 g/mol
LogP6.36
Rot. Bonds3

About 6-chloro-N-naphthalen-2-yl-2-pyridin-3-ylquinoline-4-carboxamide

6-chloro-N-naphthalen-2-yl-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 25179905) has the molecular formula C25H16ClN3O and a molecular weight of 409.88 g/mol. Its IUPAC name is 6-chloro-N-naphthalen-2-yl-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-naphthalen-2-yl-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID25179905
Molecular FormulaC25H16ClN3O
Molecular Weight409.88 g/mol
Exact Mass409.10
IUPAC Name6-chloro-N-naphthalen-2-yl-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)c1cc(-c2cccnc2)nc2ccc(Cl)cc12
InChIInChI=1S/C25H16ClN3O/c26-19-8-10-23-21(13-19)22(14-24(29-23)18-6-3-11-27-15-18)25(30)28-20-9-7-16-4-1-2-5-17(16)12-20/h1-15H,(H,28,30)
InChIKeyLTAVMGJPWSCBBM-UHFFFAOYSA-N
XLogP6.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.88
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2965443
N-(4-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39311131
6-chloro-N-[(4-chlorophenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798226
6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 1261484
N-(2-adamantyl)-6-chloro-2-pyridin-3-ylquinoline-4-carboxamide
CID 1261284
6-chloro-N-morpholin-4-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 1261356
N-(3-fluoro-4-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 55868418
methyl 2-[(6-chloro-2-pyridin-3-ylquinoline-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate;hydrochloride
CID 2965387
N-naphthalen-1-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25180097
N-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 3131018
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide
CID 71181011
2-pyridin-3-yl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoline-4-carboxamide
CID 46668985

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-naphthalen-2-yl-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 6-chloro-N-naphthalen-2-yl-2-pyridin-3-ylquinoline-4-carboxamide (CID 25179905) is 6-chloro-N-naphthalen-2-yl-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-N-naphthalen-2-yl-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 6-chloro-N-naphthalen-2-yl-2-pyridin-3-ylquinoline-4-carboxamide is O=C(Nc1ccc2ccccc2c1)c1cc(-c2cccnc2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-N-naphthalen-2-yl-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is LTAVMGJPWSCBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClN3O/c26-19-8-10-23-21(13-19)22(14-24(29-23)18-6-3-11-27-15-18)25(30)28-20-9-7-16-4-1-2-5-17(16)12-20/h1-15H,(H,28,30).
What are the key properties of 6-chloro-N-naphthalen-2-yl-2-pyridin-3-ylquinoline-4-carboxamide?
6-chloro-N-naphthalen-2-yl-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 409.88 g/mol, XLogP of 6.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-naphthalen-2-yl-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 25179905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).