N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-2-methyl-6-(trifluoromethoxy)quinoline-3-carboxamide

C18H18F3N5O2 — CID 166243235

IUPACN-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-2-methyl-6-(trifluoromethoxy)quinoline-3-carboxamide
SMILESCc1nc2ccc(OC(F)(F)F)cc2cc1C(=O)Nc1nn(C)c(C)c1CN
InChIInChI=1S/C18H18F3N5O2/c1-9-13(17(27)24-16-14(8-22)10(2)26(3)25-16)7-11-6-12(28-18(19,20)21)4-5-15(11)23-9/h4-7H,8,22H2,1-3H3,(H,24,25,27)
InChIKeyWBKSNFAVDDGXBC-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.19
Rot. Bonds4

About N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-2-methyl-6-(trifluoromethoxy)quinoline-3-carboxamide

N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-2-methyl-6-(trifluoromethoxy)quinoline-3-carboxamide (PubChem CID 166243235) has the molecular formula C18H18F3N5O2 and a molecular weight of 393.37 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-2-methyl-6-(trifluoromethoxy)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-2-methyl-6-(trifluoromethoxy)quinoline-3-carboxamide
PubChem CID166243235
Molecular FormulaC18H18F3N5O2
Molecular Weight393.37 g/mol
Exact Mass393.14
IUPAC NameN-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-2-methyl-6-(trifluoromethoxy)quinoline-3-carboxamide
SMILESCc1nc2ccc(OC(F)(F)F)cc2cc1C(=O)Nc1nn(C)c(C)c1CN
InChIInChI=1S/C18H18F3N5O2/c1-9-13(17(27)24-16-14(8-22)10(2)26(3)25-16)7-11-6-12(28-18(19,20)21)4-5-15(11)23-9/h4-7H,8,22H2,1-3H3,(H,24,25,27)
InChIKeyWBKSNFAVDDGXBC-UHFFFAOYSA-N
XLogP3.19
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-3-carboxamide
CID 38033463
[3-methyl-6-(trifluoromethoxy)quinolin-2-yl]methanamine
CID 82245488
5-(trifluoromethoxy)-2-(1,3,5-trimethylpyrazol-4-yl)benzoic acid
CID 172651324
N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]imidazo[1,2-a]pyridine-5-carboxamide;2,2,2-trifluoroacetic acid
CID 166260284
N-(3-acetamido-4-fluorophenyl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 46632736
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
CID 46676241
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide
CID 46467441
N-hydroxy-2-methyl-6-(trifluoromethoxy)quinoline-4-carboxamide
CID 82574511
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide
CID 33078369
6-ethoxy-2-methylquinoline-3-carboxylic acid
CID 17039997
N-(4-ethylsulfonylphenyl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 39862992
[2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
CID 46676207

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-2-methyl-6-(trifluoromethoxy)quinoline-3-carboxamide?
The IUPAC name of N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-2-methyl-6-(trifluoromethoxy)quinoline-3-carboxamide (CID 166243235) is N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-2-methyl-6-(trifluoromethoxy)quinoline-3-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-2-methyl-6-(trifluoromethoxy)quinoline-3-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-2-methyl-6-(trifluoromethoxy)quinoline-3-carboxamide is Cc1nc2ccc(OC(F)(F)F)cc2cc1C(=O)Nc1nn(C)c(C)c1CN.
What is the InChIKey of N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-2-methyl-6-(trifluoromethoxy)quinoline-3-carboxamide?
The InChIKey is WBKSNFAVDDGXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O2/c1-9-13(17(27)24-16-14(8-22)10(2)26(3)25-16)7-11-6-12(28-18(19,20)21)4-5-15(11)23-9/h4-7H,8,22H2,1-3H3,(H,24,25,27).
What are the key properties of N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-2-methyl-6-(trifluoromethoxy)quinoline-3-carboxamide?
N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-2-methyl-6-(trifluoromethoxy)quinoline-3-carboxamide has a molecular weight of 393.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-2-methyl-6-(trifluoromethoxy)quinoline-3-carboxamide is sourced from PubChem (CID 166243235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).