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

C27H32N4O2 — CID 56595161

IUPACN,N-dibutyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide
SMILESCCCCN(CCCC)C(=O)Cn1c2nn(-c3ccccc3)c(=O)c-2c(C)c2ccccc21
InChIInChI=1S/C27H32N4O2/c1-4-6-17-29(18-7-5-2)24(32)19-30-23-16-12-11-15-22(23)20(3)25-26(30)28-31(27(25)33)21-13-9-8-10-14-21/h8-16H,4-7,17-19H2,1-3H3
InChIKeyDYHMEYLSFYFTIX-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.03
Rot. Bonds9

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

N,N-dibutyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide (PubChem CID 56595161) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N,N-dibutyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide
PubChem CID56595161
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC NameN,N-dibutyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide
SMILESCCCCN(CCCC)C(=O)Cn1c2nn(-c3ccccc3)c(=O)c-2c(C)c2ccccc21
InChIInChI=1S/C27H32N4O2/c1-4-6-17-29(18-7-5-2)24(32)19-30-23-16-12-11-15-22(23)20(3)25-26(30)28-31(27(25)33)21-13-9-8-10-14-21/h8-16H,4-7,17-19H2,1-3H3
InChIKeyDYHMEYLSFYFTIX-UHFFFAOYSA-N
XLogP5.03
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide?
The IUPAC name of N,N-dibutyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide (CID 56595161) is N,N-dibutyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide.
What is the SMILES notation for N,N-dibutyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide?
The canonical SMILES for N,N-dibutyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide is CCCCN(CCCC)C(=O)Cn1c2nn(-c3ccccc3)c(=O)c-2c(C)c2ccccc21.
What is the InChIKey of N,N-dibutyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide?
The InChIKey is DYHMEYLSFYFTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-4-6-17-29(18-7-5-2)24(32)19-30-23-16-12-11-15-22(23)20(3)25-26(30)28-31(27(25)33)21-13-9-8-10-14-21/h8-16H,4-7,17-19H2,1-3H3.
What are the key properties of N,N-dibutyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide?
N,N-dibutyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide has a molecular weight of 444.58 g/mol, XLogP of 5.03, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide is sourced from PubChem (CID 56595161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).