N-(4-methylphenyl)-2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetamide

C26H22N4O — CID 20952230

IUPACN-(4-methylphenyl)-2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(-c3ccccc3)c3cnc4ccc(C)cc4c32)cc1
InChIInChI=1S/C26H22N4O/c1-17-8-11-20(12-9-17)28-24(31)16-30-26-21-14-18(2)10-13-23(21)27-15-22(26)25(29-30)19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,28,31)
InChIKeyVKJDNOPHGMPLPD-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.51
Rot. Bonds4

About N-(4-methylphenyl)-2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetamide

N-(4-methylphenyl)-2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetamide (PubChem CID 20952230) has the molecular formula C26H22N4O and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetamide
PubChem CID20952230
Molecular FormulaC26H22N4O
Molecular Weight406.49 g/mol
Exact Mass406.18
IUPAC NameN-(4-methylphenyl)-2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(-c3ccccc3)c3cnc4ccc(C)cc4c32)cc1
InChIInChI=1S/C26H22N4O/c1-17-8-11-20(12-9-17)28-24(31)16-30-26-21-14-18(2)10-13-23(21)27-15-22(26)25(29-30)19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,28,31)
InChIKeyVKJDNOPHGMPLPD-UHFFFAOYSA-N
XLogP5.51
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetamide?
The IUPAC name of N-(4-methylphenyl)-2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetamide (CID 20952230) is N-(4-methylphenyl)-2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetamide is Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)c3cnc4ccc(C)cc4c32)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetamide?
The InChIKey is VKJDNOPHGMPLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O/c1-17-8-11-20(12-9-17)28-24(31)16-30-26-21-14-18(2)10-13-23(21)27-15-22(26)25(29-30)19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,28,31).
What are the key properties of N-(4-methylphenyl)-2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetamide?
N-(4-methylphenyl)-2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetamide has a molecular weight of 406.49 g/mol, XLogP of 5.51, 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-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetamide is sourced from PubChem (CID 20952230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).