N-(2,6-dichlorophenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide

C21H16Cl2N4O — CID 19511727

IUPACN-(2,6-dichlorophenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)Nc2c(Cl)cccc2Cl)c2ccccc2n1
InChIInChI=1S/C21H16Cl2N4O/c1-12-15(11-27(2)26-12)19-10-14(13-6-3-4-9-18(13)24-19)21(28)25-20-16(22)7-5-8-17(20)23/h3-11H,1-2H3,(H,25,28)
InChIKeyCPQTZRKGYPBGJR-UHFFFAOYSA-N
MW411.29 g/mol
LogP5.50
Rot. Bonds3

About N-(2,6-dichlorophenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide

N-(2,6-dichlorophenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 19511727) has the molecular formula C21H16Cl2N4O and a molecular weight of 411.29 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID19511727
Molecular FormulaC21H16Cl2N4O
Molecular Weight411.29 g/mol
Exact Mass410.07
IUPAC NameN-(2,6-dichlorophenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)Nc2c(Cl)cccc2Cl)c2ccccc2n1
InChIInChI=1S/C21H16Cl2N4O/c1-12-15(11-27(2)26-12)19-10-14(13-6-3-4-9-18(13)24-19)21(28)25-20-16(22)7-5-8-17(20)23/h3-11H,1-2H3,(H,25,28)
InChIKeyCPQTZRKGYPBGJR-UHFFFAOYSA-N
XLogP5.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.29
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19511719
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19511884
dimethyl 5-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19511697
N-(2,6-dichlorophenyl)-2-phenylquinoline-4-carboxamide
CID 2259441
2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
CID 5128996
5-chloro-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid
CID 65196893
2-(1,3-dimethylpyrazol-4-yl)-N-(4-methyl-2-nitrophenyl)quinoline-4-carboxamide
CID 19511746
methyl 2-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-5-methylthiophene-3-carboxylate
CID 19511808
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19511922
2-(1,3-dimethylpyrazol-4-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide
CID 19511893
N-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474782
2-(1,3-dimethylpyrazol-4-yl)-N-[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 19511939

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide (CID 19511727) is N-(2,6-dichlorophenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide is Cc1nn(C)cc1-c1cc(C(=O)Nc2c(Cl)cccc2Cl)c2ccccc2n1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is CPQTZRKGYPBGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N4O/c1-12-15(11-27(2)26-12)19-10-14(13-6-3-4-9-18(13)24-19)21(28)25-20-16(22)7-5-8-17(20)23/h3-11H,1-2H3,(H,25,28).
What are the key properties of N-(2,6-dichlorophenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide?
N-(2,6-dichlorophenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 411.29 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 19511727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).