N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide

C26H23ClN2O3 — CID 16550601

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3c(C)cc(C)cc3Cl)c3ccccc3n2)cc1OC
InChIInChI=1S/C26H23ClN2O3/c1-15-11-16(2)25(20(27)12-15)29-26(30)19-14-22(28-21-8-6-5-7-18(19)21)17-9-10-23(31-3)24(13-17)32-4/h5-14H,1-4H3,(H,29,30)
InChIKeyOUSPBYWVPGXQSC-UHFFFAOYSA-N
MW446.93 g/mol
LogP6.44
Rot. Bonds5

About N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 16550601) has the molecular formula C26H23ClN2O3 and a molecular weight of 446.93 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
PubChem CID16550601
Molecular FormulaC26H23ClN2O3
Molecular Weight446.93 g/mol
Exact Mass446.14
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3c(C)cc(C)cc3Cl)c3ccccc3n2)cc1OC
InChIInChI=1S/C26H23ClN2O3/c1-15-11-16(2)25(20(27)12-15)29-26(30)19-14-22(28-21-8-6-5-7-18(19)21)17-9-10-23(31-3)24(13-17)32-4/h5-14H,1-4H3,(H,29,30)
InChIKeyOUSPBYWVPGXQSC-UHFFFAOYSA-N
XLogP6.44
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.93
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2161835
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332
N-(4-carbamoyl-3-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 56516872
2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 3253298
2-(3-methoxyphenyl)-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 4673574
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7923987
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 1328482
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 2162604
N-(2-chloro-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2347439
2-(3,4-dimethoxyphenyl)-N'-(2,5-dimethylfuran-3-carbonyl)quinoline-4-carbohydrazide
CID 29169171
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 5211935
ethyl 4-[[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 4580773

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide (CID 16550601) is N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3c(C)cc(C)cc3Cl)c3ccccc3n2)cc1OC.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is OUSPBYWVPGXQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O3/c1-15-11-16(2)25(20(27)12-15)29-26(30)19-14-22(28-21-8-6-5-7-18(19)21)17-9-10-23(31-3)24(13-17)32-4/h5-14H,1-4H3,(H,29,30).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 446.93 g/mol, XLogP of 6.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 16550601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).