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

C18H20N4O4 — CID 171339492

IUPACformic acid;N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide
SMILESCOc1cc2c(C)cc(-c3ccnn3C)nc2cc1NC(C)=O.O=CO
InChIInChI=1S/C17H18N4O2.CH2O2/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;2-1-3/h5-9H,1-4H3,(H,19,22);1H,(H,2,3)
InChIKeyQLSJPFKWUDEBOR-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.61
Rot. Bonds3

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

formic acid;N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide (PubChem CID 171339492) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is formic acid;N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide.

Molecular Properties

Compound Nameformic acid;N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide
PubChem CID171339492
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Nameformic acid;N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide
SMILESCOc1cc2c(C)cc(-c3ccnn3C)nc2cc1NC(C)=O.O=CO
InChIInChI=1S/C17H18N4O2.CH2O2/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;2-1-3/h5-9H,1-4H3,(H,19,22);1H,(H,2,3)
InChIKeyQLSJPFKWUDEBOR-UHFFFAOYSA-N
XLogP2.61
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide
CID 169417675
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
formic acid;1-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]pyrrolidin-2-one
CID 171339251
N-[2-(2,3-dimethylimidazol-4-yl)-7-methoxy-4-methylquinolin-6-yl]methanesulfonamide;formic acid
CID 171338851
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-[8-methoxy-4-methyl-2-(5-methylfuran-2-yl)quinolin-5-yl]acetamide
CID 169411948
N-(2,4,5-trimethoxyphenyl)acetamide
CID 54074808

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide?
The IUPAC name of formic acid;N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide (CID 171339492) is formic acid;N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide.
What is the SMILES notation for formic acid;N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide?
The canonical SMILES for formic acid;N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide is COc1cc2c(C)cc(-c3ccnn3C)nc2cc1NC(C)=O.O=CO.
What is the InChIKey of formic acid;N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide?
The InChIKey is QLSJPFKWUDEBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2.CH2O2/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;2-1-3/h5-9H,1-4H3,(H,19,22);1H,(H,2,3).
What are the key properties of formic acid;N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide?
formic acid;N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide has a molecular weight of 356.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide is sourced from PubChem (CID 171339492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).