N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-9-yl]-N-methylacetamide

C26H20ClFN4O2 — CID 56595163

IUPACN-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-9-yl]-N-methylacetamide
SMILESCc1c2c(=O)n(-c3ccc(F)cc3)nc-2n(CC(=O)N(C)c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C26H20ClFN4O2/c1-16-21-5-3-4-6-22(21)31(15-23(33)30(2)19-11-7-17(27)8-12-19)25-24(16)26(34)32(29-25)20-13-9-18(28)10-14-20/h3-14H,15H2,1-2H3
InChIKeyRXPVPNNNQFZDCJ-UHFFFAOYSA-N
MW474.92 g/mol
LogP5.06
Rot. Bonds4

About N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-9-yl]-N-methylacetamide

N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-9-yl]-N-methylacetamide (PubChem CID 56595163) has the molecular formula C26H20ClFN4O2 and a molecular weight of 474.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-9-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-9-yl]-N-methylacetamide
PubChem CID56595163
Molecular FormulaC26H20ClFN4O2
Molecular Weight474.92 g/mol
Exact Mass474.13
IUPAC NameN-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-9-yl]-N-methylacetamide
SMILESCc1c2c(=O)n(-c3ccc(F)cc3)nc-2n(CC(=O)N(C)c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C26H20ClFN4O2/c1-16-21-5-3-4-6-22(21)31(15-23(33)30(2)19-11-7-17(27)8-12-19)25-24(16)26(34)32(29-25)20-13-9-18(28)10-14-20/h3-14H,15H2,1-2H3
InChIKeyRXPVPNNNQFZDCJ-UHFFFAOYSA-N
XLogP5.06
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.92
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide
CID 56589578
N-butyl-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide
CID 56595034
N,N-diethyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide
CID 56595035
N,N-dibutyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide
CID 56595161
N-butyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-9-yl]-N-methylacetamide
CID 56595162
2-Benzyl-11-chloro-8-methyl-2,8-dihydro(1,2,4)triazino(4,3-d)(1,4)benzodiazepine-3,4,7(6H)-trione
CID 325439
N-(4-chlorophenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2(3H)-yl)acetamide
CID 52905749
N-(4-chlorophenyl)-2-(6-ethyl-2-(4-fluorophenyl)-4-oxo-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-3(4H)-yl)acetamide
CID 52906213
1-(4-chlorophenyl)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-methyl-4,5-dihydroimidazole-4-carboxamide
CID 143108460
1-[4-(4-Chlorophenyl)piperazin-1-yl]-3-(6-oxo-3,4-diphenyl-1,6-dihydropyridazin-1-yl)propan-1-one
CID 123478464
2-(4-Methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide
CID 123806265
2-(2-(4-(4-chlorophenyl)piperazin-1-yl)-2-oxoethyl)-6-(2-fluorophenyl)pyridazin-3(2H)-one
CID 49657772

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-9-yl]-N-methylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-9-yl]-N-methylacetamide (CID 56595163) is N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-9-yl]-N-methylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-9-yl]-N-methylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-9-yl]-N-methylacetamide is Cc1c2c(=O)n(-c3ccc(F)cc3)nc-2n(CC(=O)N(C)c2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-9-yl]-N-methylacetamide?
The InChIKey is RXPVPNNNQFZDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClFN4O2/c1-16-21-5-3-4-6-22(21)31(15-23(33)30(2)19-11-7-17(27)8-12-19)25-24(16)26(34)32(29-25)20-13-9-18(28)10-14-20/h3-14H,15H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-9-yl]-N-methylacetamide?
N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-9-yl]-N-methylacetamide has a molecular weight of 474.92 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-9-yl]-N-methylacetamide is sourced from PubChem (CID 56595163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).