6-chloro-2-(2-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide

C24H22Cl2N4O — CID 164767125

IUPAC6-chloro-2-(2-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2cc(-c3ccccc3Cl)nc3ccc(Cl)cc23)c1C
InChIInChI=1S/C24H22Cl2N4O/c1-4-30-15(2)16(13-27-30)14-29(3)24(31)20-12-23(18-7-5-6-8-21(18)26)28-22-10-9-17(25)11-19(20)22/h5-13H,4,14H2,1-3H3
InChIKeyMMIJEPDXDLCDLP-UHFFFAOYSA-N
MW453.37 g/mol
LogP6.01
Rot. Bonds5

About 6-chloro-2-(2-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide

6-chloro-2-(2-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide (PubChem CID 164767125) has the molecular formula C24H22Cl2N4O and a molecular weight of 453.37 g/mol. Its IUPAC name is 6-chloro-2-(2-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(2-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide
PubChem CID164767125
Molecular FormulaC24H22Cl2N4O
Molecular Weight453.37 g/mol
Exact Mass452.12
IUPAC Name6-chloro-2-(2-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2cc(-c3ccccc3Cl)nc3ccc(Cl)cc23)c1C
InChIInChI=1S/C24H22Cl2N4O/c1-4-30-15(2)16(13-27-30)14-29(3)24(31)20-12-23(18-7-5-6-8-21(18)26)28-22-10-9-17(25)11-19(20)22/h5-13H,4,14H2,1-3H3
InChIKeyMMIJEPDXDLCDLP-UHFFFAOYSA-N
XLogP6.01
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.37
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-methylimidazol-4-yl)quinoline-4-carboxamide
CID 164766967
2-(4-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide
CID 164767183
2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethylquinoline-4-carboxamide
CID 164766955
2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide
CID 167060231
6-chloro-2-(2,3-dichlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinazoline-4-carboxamide
CID 164767163
6-chloro-2-[6-ethyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide
CID 167060319
2-(2,6-dimethylpyrimidin-4-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide
CID 167060246
3-(2,4-dichlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 19515515
6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[6-methyl-5-[3-(methylamino)propyl]-2-pyridinyl]-N-propan-2-ylquinoline-4-carboxamide
CID 165042419
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-(1-ethyl-3-methylpyrazol-4-yl)-N-methylquinoline-4-carboxamide
CID 17023573
6-chloro-2-(3-cyanophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinazoline-4-carboxamide
CID 164767357
6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(3-methoxy-2-pyridinyl)-N-methylquinazoline-4-carboxamide
CID 164767415

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide?
The IUPAC name of 6-chloro-2-(2-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide (CID 164767125) is 6-chloro-2-(2-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-2-(2-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide?
The canonical SMILES for 6-chloro-2-(2-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide is CCn1ncc(CN(C)C(=O)c2cc(-c3ccccc3Cl)nc3ccc(Cl)cc23)c1C.
What is the InChIKey of 6-chloro-2-(2-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide?
The InChIKey is MMIJEPDXDLCDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4O/c1-4-30-15(2)16(13-27-30)14-29(3)24(31)20-12-23(18-7-5-6-8-21(18)26)28-22-10-9-17(25)11-19(20)22/h5-13H,4,14H2,1-3H3.
What are the key properties of 6-chloro-2-(2-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide?
6-chloro-2-(2-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide has a molecular weight of 453.37 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 164767125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).