6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide

C23H17Cl2N3O3 — CID 1261484

IUPAC6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc23)cc1Cl
InChIInChI=1S/C23H17Cl2N3O3/c1-30-21-11-22(31-2)20(10-17(21)25)28-23(29)16-9-19(13-4-3-7-26-12-13)27-18-6-5-14(24)8-15(16)18/h3-12H,1-2H3,(H,28,29)
InChIKeyDUTNBGMEYWOPFA-UHFFFAOYSA-N
MW454.31 g/mol
LogP5.87
Rot. Bonds5

About 6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide

6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 1261484) has the molecular formula C23H17Cl2N3O3 and a molecular weight of 454.31 g/mol. Its IUPAC name is 6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID1261484
Molecular FormulaC23H17Cl2N3O3
Molecular Weight454.31 g/mol
Exact Mass453.06
IUPAC Name6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc23)cc1Cl
InChIInChI=1S/C23H17Cl2N3O3/c1-30-21-11-22(31-2)20(10-17(21)25)28-23(29)16-9-19(13-4-3-7-26-12-13)27-18-6-5-14(24)8-15(16)18/h3-12H,1-2H3,(H,28,29)
InChIKeyDUTNBGMEYWOPFA-UHFFFAOYSA-N
XLogP5.87
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.31
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-naphthalen-2-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25179905
methyl 2-[(6-chloro-2-pyridin-3-ylquinoline-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate;hydrochloride
CID 2965387
6-chloro-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2965443
6-chloro-N-[(4-chlorophenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798226
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 1328482
N-(2-adamantyl)-6-chloro-2-pyridin-3-ylquinoline-4-carboxamide
CID 1261284
3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 66464599
N-(3-fluoro-4-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 55868418
N-(5-chloro-2,4-dimethoxyphenyl)-2-methylquinoline-4-carboxamide
CID 26210631
6-chloro-2-(2-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 2965510
6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid
CID 3321960
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 2164864

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide (CID 1261484) is 6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide is COc1cc(OC)c(NC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc23)cc1Cl.
What is the InChIKey of 6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is DUTNBGMEYWOPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O3/c1-30-21-11-22(31-2)20(10-17(21)25)28-23(29)16-9-19(13-4-3-7-26-12-13)27-18-6-5-14(24)8-15(16)18/h3-12H,1-2H3,(H,28,29).
What are the key properties of 6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide?
6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 454.31 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 1261484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).