2-(2,4-dichlorophenyl)-3-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide

C23H17Cl2N3O — CID 3498763

IUPAC2-(2,4-dichlorophenyl)-3-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
SMILESCc1cccc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3Cl)nc3ccccc23)n1
InChIInChI=1S/C23H17Cl2N3O/c1-13-6-5-9-20(26-13)28-23(29)21-14(2)22(16-11-10-15(24)12-18(16)25)27-19-8-4-3-7-17(19)21/h3-12H,1-2H3,(H,26,28,29)
InChIKeyHCYOMGYTZXUWQP-UHFFFAOYSA-N
MW422.32 g/mol
LogP6.47
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-3-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide

2-(2,4-dichlorophenyl)-3-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide (PubChem CID 3498763) has the molecular formula C23H17Cl2N3O and a molecular weight of 422.32 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
PubChem CID3498763
Molecular FormulaC23H17Cl2N3O
Molecular Weight422.32 g/mol
Exact Mass421.07
IUPAC Name2-(2,4-dichlorophenyl)-3-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
SMILESCc1cccc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3Cl)nc3ccccc23)n1
InChIInChI=1S/C23H17Cl2N3O/c1-13-6-5-9-20(26-13)28-23(29)21-14(2)22(16-11-10-15(24)12-18(16)25)27-19-8-4-3-7-17(19)21/h3-12H,1-2H3,(H,26,28,29)
InChIKeyHCYOMGYTZXUWQP-UHFFFAOYSA-N
XLogP6.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.32
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide (CID 3498763) is 2-(2,4-dichlorophenyl)-3-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide is Cc1cccc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3Cl)nc3ccccc23)n1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide?
The InChIKey is HCYOMGYTZXUWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O/c1-13-6-5-9-20(26-13)28-23(29)21-14(2)22(16-11-10-15(24)12-18(16)25)27-19-8-4-3-7-17(19)21/h3-12H,1-2H3,(H,26,28,29).
What are the key properties of 2-(2,4-dichlorophenyl)-3-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide?
2-(2,4-dichlorophenyl)-3-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide has a molecular weight of 422.32 g/mol, XLogP of 6.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide is sourced from PubChem (CID 3498763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).