formic acid;N-[8-methoxy-4-methyl-2-[2-(pyrazol-1-ylmethyl)phenyl]quinolin-5-yl]acetamide

C24H24N4O4 — CID 171339064

IUPACformic acid;N-[8-methoxy-4-methyl-2-[2-(pyrazol-1-ylmethyl)phenyl]quinolin-5-yl]acetamide
SMILESCOc1ccc(NC(C)=O)c2c(C)cc(-c3ccccc3Cn3cccn3)nc12.O=CO
InChIInChI=1S/C23H22N4O2.CH2O2/c1-15-13-20(18-8-5-4-7-17(18)14-27-12-6-11-24-27)26-23-21(29-3)10-9-19(22(15)23)25-16(2)28;2-1-3/h4-13H,14H2,1-3H3,(H,25,28);1H,(H,2,3)
InChIKeyHRGYDSVIYIKKOY-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.12
Rot. Bonds5

About formic acid;N-[8-methoxy-4-methyl-2-[2-(pyrazol-1-ylmethyl)phenyl]quinolin-5-yl]acetamide

formic acid;N-[8-methoxy-4-methyl-2-[2-(pyrazol-1-ylmethyl)phenyl]quinolin-5-yl]acetamide (PubChem CID 171339064) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is formic acid;N-[8-methoxy-4-methyl-2-[2-(pyrazol-1-ylmethyl)phenyl]quinolin-5-yl]acetamide.

Molecular Properties

Compound Nameformic acid;N-[8-methoxy-4-methyl-2-[2-(pyrazol-1-ylmethyl)phenyl]quinolin-5-yl]acetamide
PubChem CID171339064
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Nameformic acid;N-[8-methoxy-4-methyl-2-[2-(pyrazol-1-ylmethyl)phenyl]quinolin-5-yl]acetamide
SMILESCOc1ccc(NC(C)=O)c2c(C)cc(-c3ccccc3Cn3cccn3)nc12.O=CO
InChIInChI=1S/C23H22N4O2.CH2O2/c1-15-13-20(18-8-5-4-7-17(18)14-27-12-6-11-24-27)26-23-21(29-3)10-9-19(22(15)23)25-16(2)28;2-1-3/h4-13H,14H2,1-3H3,(H,25,28);1H,(H,2,3)
InChIKeyHRGYDSVIYIKKOY-UHFFFAOYSA-N
XLogP4.12
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.12
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

2-(2-methoxy-4-methylphenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 31953409
2-(5-chloro-2-methoxyphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 17412421
2-(2-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39695127
1-(4-methoxy-3-methylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 87035704
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]propanamide
CID 40812110
N-[4-(2-ethylphenyl)-2-methoxyphenyl]acetamide
CID 56716418
(E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 34582888
N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 72687351
N-(2-methoxy-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339335
2-(butan-2-ylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 60852301
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55934058
formic acid;N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide
CID 171339492

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[8-methoxy-4-methyl-2-[2-(pyrazol-1-ylmethyl)phenyl]quinolin-5-yl]acetamide?
The IUPAC name of formic acid;N-[8-methoxy-4-methyl-2-[2-(pyrazol-1-ylmethyl)phenyl]quinolin-5-yl]acetamide (CID 171339064) is formic acid;N-[8-methoxy-4-methyl-2-[2-(pyrazol-1-ylmethyl)phenyl]quinolin-5-yl]acetamide.
What is the SMILES notation for formic acid;N-[8-methoxy-4-methyl-2-[2-(pyrazol-1-ylmethyl)phenyl]quinolin-5-yl]acetamide?
The canonical SMILES for formic acid;N-[8-methoxy-4-methyl-2-[2-(pyrazol-1-ylmethyl)phenyl]quinolin-5-yl]acetamide is COc1ccc(NC(C)=O)c2c(C)cc(-c3ccccc3Cn3cccn3)nc12.O=CO.
What is the InChIKey of formic acid;N-[8-methoxy-4-methyl-2-[2-(pyrazol-1-ylmethyl)phenyl]quinolin-5-yl]acetamide?
The InChIKey is HRGYDSVIYIKKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2.CH2O2/c1-15-13-20(18-8-5-4-7-17(18)14-27-12-6-11-24-27)26-23-21(29-3)10-9-19(22(15)23)25-16(2)28;2-1-3/h4-13H,14H2,1-3H3,(H,25,28);1H,(H,2,3).
What are the key properties of formic acid;N-[8-methoxy-4-methyl-2-[2-(pyrazol-1-ylmethyl)phenyl]quinolin-5-yl]acetamide?
formic acid;N-[8-methoxy-4-methyl-2-[2-(pyrazol-1-ylmethyl)phenyl]quinolin-5-yl]acetamide has a molecular weight of 432.48 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[8-methoxy-4-methyl-2-[2-(pyrazol-1-ylmethyl)phenyl]quinolin-5-yl]acetamide is sourced from PubChem (CID 171339064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).