N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide

C17H18N4O2 — CID 169417675

IUPACN-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide
SMILESCOc1cc2c(C)cc(-c3ccnn3C)nc2cc1NC(C)=O
InChIInChI=1S/C17H18N4O2/c1-10-7-14(16-5-6-18-21(16)3)20-13-9-15(19-11(2)22)17(23-4)8-12(10)13/h5-9H,1-4H3,(H,19,22)
InChIKeySPNUXGDULDEJIO-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.91
Rot. Bonds3

About N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide

N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide (PubChem CID 169417675) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide.

Molecular Properties

Compound NameN-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide
PubChem CID169417675
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide
SMILESCOc1cc2c(C)cc(-c3ccnn3C)nc2cc1NC(C)=O
InChIInChI=1S/C17H18N4O2/c1-10-7-14(16-5-6-18-21(16)3)20-13-9-15(19-11(2)22)17(23-4)8-12(10)13/h5-9H,1-4H3,(H,19,22)
InChIKeySPNUXGDULDEJIO-UHFFFAOYSA-N
XLogP2.91
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

formic acid;N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide
CID 171339492
N-[2-(2,3-dimethylimidazol-4-yl)-6-methoxy-4-methylquinolin-7-yl]acetamide
CID 169418075
N-[6-methoxy-4-methyl-2-(1-methylpyrazol-4-yl)quinolin-7-yl]acetamide
CID 169414607
N-[2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-4-methylquinolin-6-yl]acetamide
CID 169416469
1-[4-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]piperazin-1-yl]ethanone
CID 169417416
N-[2-(furan-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide
CID 170505012
N-[2-(2-hydroxy-5-methoxyphenyl)-7-methoxy-4-methylquinolin-6-yl]-2-methoxyacetamide
CID 169413461
N-[2-(4-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]acetamide
CID 169414234
N-(2,4,5-trimethoxyphenyl)acetamide
CID 54074808
formic acid;1-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]pyrrolidin-2-one
CID 171339251
5-(2,5-dimethoxy-4-methylphenyl)-1-methylpyrazole
CID 116869159
N-[2-(2,3-dimethylimidazol-4-yl)-7-methoxy-4-methylquinolin-6-yl]methanesulfonamide;formic acid
CID 171338851

Frequently Asked Questions

What is the IUPAC name of N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide?
The IUPAC name of N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide (CID 169417675) is N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide.
What is the SMILES notation for N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide?
The canonical SMILES for N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide is COc1cc2c(C)cc(-c3ccnn3C)nc2cc1NC(C)=O.
What is the InChIKey of N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide?
The InChIKey is SPNUXGDULDEJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-10-7-14(16-5-6-18-21(16)3)20-13-9-15(19-11(2)22)17(23-4)8-12(10)13/h5-9H,1-4H3,(H,19,22).
What are the key properties of N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide?
N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide has a molecular weight of 310.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide is sourced from PubChem (CID 169417675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).