N-(4-methylphenyl)-2-(3-phenylpyrazolo[4,5-c]quinolin-1-yl)acetamide

C25H20N4O — CID 20952229

IUPACN-(4-methylphenyl)-2-(3-phenylpyrazolo[4,5-c]quinolin-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(-c3ccccc3)c3cnc4ccccc4c32)cc1
InChIInChI=1S/C25H20N4O/c1-17-11-13-19(14-12-17)27-23(30)16-29-25-20-9-5-6-10-22(20)26-15-21(25)24(28-29)18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,27,30)
InChIKeyZJRYTHOUZUBMES-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.20
Rot. Bonds4

About N-(4-methylphenyl)-2-(3-phenylpyrazolo[4,5-c]quinolin-1-yl)acetamide

N-(4-methylphenyl)-2-(3-phenylpyrazolo[4,5-c]quinolin-1-yl)acetamide (PubChem CID 20952229) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(3-phenylpyrazolo[4,5-c]quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(3-phenylpyrazolo[4,5-c]quinolin-1-yl)acetamide
PubChem CID20952229
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC NameN-(4-methylphenyl)-2-(3-phenylpyrazolo[4,5-c]quinolin-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(-c3ccccc3)c3cnc4ccccc4c32)cc1
InChIInChI=1S/C25H20N4O/c1-17-11-13-19(14-12-17)27-23(30)16-29-25-20-9-5-6-10-22(20)26-15-21(25)24(28-29)18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,27,30)
InChIKeyZJRYTHOUZUBMES-UHFFFAOYSA-N
XLogP5.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetamide
CID 20952230
2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 20952296
2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)-N-phenylacetamide
CID 20952211
N-(2-fluorophenyl)-2-[8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinolin-1-yl]acetamide
CID 20952325
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
CID 23854431
N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1417632
N-cyclopentyl-2-[3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinolin-1-yl]acetamide
CID 20952341
N-(4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721687
N-cyclopentyl-2-(8-methoxy-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetamide
CID 20952333
N-(4-hydroxyphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide
CID 177373845
N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1385157
N,N-diethyl-4-[[2-(1-oxo-4-phenylphthalazin-2-yl)acetyl]amino]benzamide
CID 1080064

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(3-phenylpyrazolo[4,5-c]quinolin-1-yl)acetamide?
The IUPAC name of N-(4-methylphenyl)-2-(3-phenylpyrazolo[4,5-c]quinolin-1-yl)acetamide (CID 20952229) is N-(4-methylphenyl)-2-(3-phenylpyrazolo[4,5-c]quinolin-1-yl)acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(3-phenylpyrazolo[4,5-c]quinolin-1-yl)acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(3-phenylpyrazolo[4,5-c]quinolin-1-yl)acetamide is Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)c3cnc4ccccc4c32)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(3-phenylpyrazolo[4,5-c]quinolin-1-yl)acetamide?
The InChIKey is ZJRYTHOUZUBMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O/c1-17-11-13-19(14-12-17)27-23(30)16-29-25-20-9-5-6-10-22(20)26-15-21(25)24(28-29)18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,27,30).
What are the key properties of N-(4-methylphenyl)-2-(3-phenylpyrazolo[4,5-c]quinolin-1-yl)acetamide?
N-(4-methylphenyl)-2-(3-phenylpyrazolo[4,5-c]quinolin-1-yl)acetamide has a molecular weight of 392.46 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(3-phenylpyrazolo[4,5-c]quinolin-1-yl)acetamide is sourced from PubChem (CID 20952229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).