N-[(2-chloro-4-fluorophenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-2-carboxamide

C23H24ClFN4O — CID 50845347

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-2-carboxamide
SMILESCc1cccc2c(N3CCN(C)CC3)cc(C(=O)NCc3ccc(F)cc3Cl)nc12
InChIInChI=1S/C23H24ClFN4O/c1-15-4-3-5-18-21(29-10-8-28(2)9-11-29)13-20(27-22(15)18)23(30)26-14-16-6-7-17(25)12-19(16)24/h3-7,12-13H,8-11,14H2,1-2H3,(H,26,30)
InChIKeyZPBOYBJFHZIMNJ-UHFFFAOYSA-N
MW426.92 g/mol
LogP4.02
Rot. Bonds4

About N-[(2-chloro-4-fluorophenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-2-carboxamide

N-[(2-chloro-4-fluorophenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-2-carboxamide (PubChem CID 50845347) has the molecular formula C23H24ClFN4O and a molecular weight of 426.92 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-2-carboxamide
PubChem CID50845347
Molecular FormulaC23H24ClFN4O
Molecular Weight426.92 g/mol
Exact Mass426.16
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-2-carboxamide
SMILESCc1cccc2c(N3CCN(C)CC3)cc(C(=O)NCc3ccc(F)cc3Cl)nc12
InChIInChI=1S/C23H24ClFN4O/c1-15-4-3-5-18-21(29-10-8-28(2)9-11-29)13-20(27-22(15)18)23(30)26-14-16-6-7-17(25)12-19(16)24/h3-7,12-13H,8-11,14H2,1-2H3,(H,26,30)
InChIKeyZPBOYBJFHZIMNJ-UHFFFAOYSA-N
XLogP4.02
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)quinoline-2-carboxamide
CID 50845346
N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
CID 53194257
N,8-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
CID 53016678
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[2-(2,6-dimethylphenoxy)ethyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 25107294
N-[(4-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230247
1-(4-fluorophenyl)-5-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazole-3-carboxamide
CID 56518380
N-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 46386698
N-[(2-chlorophenyl)methyl]-6-(2,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109370065
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 25106746
N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(6-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide
CID 25096712
N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20857512
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 56517786

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-2-carboxamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-2-carboxamide (CID 50845347) is N-[(2-chloro-4-fluorophenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-2-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-2-carboxamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-2-carboxamide is Cc1cccc2c(N3CCN(C)CC3)cc(C(=O)NCc3ccc(F)cc3Cl)nc12.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-2-carboxamide?
The InChIKey is ZPBOYBJFHZIMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O/c1-15-4-3-5-18-21(29-10-8-28(2)9-11-29)13-20(27-22(15)18)23(30)26-14-16-6-7-17(25)12-19(16)24/h3-7,12-13H,8-11,14H2,1-2H3,(H,26,30).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-2-carboxamide?
N-[(2-chloro-4-fluorophenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-2-carboxamide has a molecular weight of 426.92 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-2-carboxamide is sourced from PubChem (CID 50845347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).