N-(4-chlorophenyl)-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide

C26H21ClN4O2 — CID 56589578

IUPACN-(4-chlorophenyl)-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide
SMILESCc1c2c(=O)n(-c3ccccc3)nc-2n(CC(=O)N(C)c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C26H21ClN4O2/c1-17-21-10-6-7-11-22(21)30(16-23(32)29(2)19-14-12-18(27)13-15-19)25-24(17)26(33)31(28-25)20-8-4-3-5-9-20/h3-15H,16H2,1-2H3
InChIKeyAEGFYJHTONSTDK-UHFFFAOYSA-N
MW456.93 g/mol
LogP4.92
Rot. Bonds4

About N-(4-chlorophenyl)-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide

N-(4-chlorophenyl)-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide (PubChem CID 56589578) has the molecular formula C26H21ClN4O2 and a molecular weight of 456.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide
PubChem CID56589578
Molecular FormulaC26H21ClN4O2
Molecular Weight456.93 g/mol
Exact Mass456.14
IUPAC NameN-(4-chlorophenyl)-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide
SMILESCc1c2c(=O)n(-c3ccccc3)nc-2n(CC(=O)N(C)c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C26H21ClN4O2/c1-17-21-10-6-7-11-22(21)30(16-23(32)29(2)19-14-12-18(27)13-15-19)25-24(17)26(33)31(28-25)20-8-4-3-5-9-20/h3-15H,16H2,1-2H3
InChIKeyAEGFYJHTONSTDK-UHFFFAOYSA-N
XLogP4.92
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide (CID 56589578) is N-(4-chlorophenyl)-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide is Cc1c2c(=O)n(-c3ccccc3)nc-2n(CC(=O)N(C)c2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of N-(4-chlorophenyl)-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide?
The InChIKey is AEGFYJHTONSTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O2/c1-17-21-10-6-7-11-22(21)30(16-23(32)29(2)19-14-12-18(27)13-15-19)25-24(17)26(33)31(28-25)20-8-4-3-5-9-20/h3-15H,16H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide?
N-(4-chlorophenyl)-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide has a molecular weight of 456.93 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide is sourced from PubChem (CID 56589578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).