1-[4-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]phenyl]propan-1-one

C21H20N4O — CID 11493934

IUPAC1-[4-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(Nc2c3ccccc3nc3c2c(C)nn3C)cc1
InChIInChI=1S/C21H20N4O/c1-4-18(26)14-9-11-15(12-10-14)22-20-16-7-5-6-8-17(16)23-21-19(20)13(2)24-25(21)3/h5-12H,4H2,1-3H3,(H,22,23)
InChIKeyZNYGRJNJYSIKLS-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.77
Rot. Bonds4

About 1-[4-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]phenyl]propan-1-one

1-[4-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]phenyl]propan-1-one (PubChem CID 11493934) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[4-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]phenyl]propan-1-one
PubChem CID11493934
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name1-[4-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(Nc2c3ccccc3nc3c2c(C)nn3C)cc1
InChIInChI=1S/C21H20N4O/c1-4-18(26)14-9-11-15(12-10-14)22-20-16-7-5-6-8-17(16)23-21-19(20)13(2)24-25(21)3/h5-12H,4H2,1-3H3,(H,22,23)
InChIKeyZNYGRJNJYSIKLS-UHFFFAOYSA-N
XLogP4.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]phenyl]propan-1-one?
The IUPAC name of 1-[4-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]phenyl]propan-1-one (CID 11493934) is 1-[4-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]phenyl]propan-1-one is CCC(=O)c1ccc(Nc2c3ccccc3nc3c2c(C)nn3C)cc1.
What is the InChIKey of 1-[4-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]phenyl]propan-1-one?
The InChIKey is ZNYGRJNJYSIKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-4-18(26)14-9-11-15(12-10-14)22-20-16-7-5-6-8-17(16)23-21-19(20)13(2)24-25(21)3/h5-12H,4H2,1-3H3,(H,22,23).
What are the key properties of 1-[4-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]phenyl]propan-1-one?
1-[4-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]phenyl]propan-1-one has a molecular weight of 344.42 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]phenyl]propan-1-one is sourced from PubChem (CID 11493934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).