N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide

C17H18N4O — CID 19512882

IUPACN-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCNC(=O)c1cc(-c2c(C)nn(C)c2C)nc2ccccc12
InChIInChI=1S/C17H18N4O/c1-10-16(11(2)21(4)20-10)15-9-13(17(22)18-3)12-7-5-6-8-14(12)19-15/h5-9H,1-4H3,(H,18,22)
InChIKeySIDARHSLLPZLGJ-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.61
Rot. Bonds2

About N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide

N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 19512882) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID19512882
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCNC(=O)c1cc(-c2c(C)nn(C)c2C)nc2ccccc12
InChIInChI=1S/C17H18N4O/c1-10-16(11(2)21(4)20-10)15-9-13(17(22)18-3)12-7-5-6-8-14(12)19-15/h5-9H,1-4H3,(H,18,22)
InChIKeySIDARHSLLPZLGJ-UHFFFAOYSA-N
XLogP2.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512639
N-(5-bromo-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512629
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512652
N-(2-morpholin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512877
ethyl 1-methyl-5-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]pyrazole-4-carboxylate
CID 19512858
N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512626
N-(2-hydroxy-5-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512913
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512622
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512762
N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512791
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512746
N-[1-(ethoxymethyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512896

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide (CID 19512882) is N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide is CNC(=O)c1cc(-c2c(C)nn(C)c2C)nc2ccccc12.
What is the InChIKey of N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is SIDARHSLLPZLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-10-16(11(2)21(4)20-10)15-9-13(17(22)18-3)12-7-5-6-8-14(12)19-15/h5-9H,1-4H3,(H,18,22).
What are the key properties of N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 19512882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).