7-[2-(dimethylamino)phenyl]-5-ethyl-1H-pyrazolo[4,5-c]quinolin-4-one

C20H20N4O — CID 71535602

IUPAC7-[2-(dimethylamino)phenyl]-5-ethyl-1H-pyrazolo[4,5-c]quinolin-4-one
SMILESCCn1c(=O)c2cn[nH]c2c2ccc(-c3ccccc3N(C)C)cc21
InChIInChI=1S/C20H20N4O/c1-4-24-18-11-13(14-7-5-6-8-17(14)23(2)3)9-10-15(18)19-16(20(24)25)12-21-22-19/h5-12H,4H2,1-3H3,(H,21,22)
InChIKeySPQXHLWSWJVURN-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.63
Rot. Bonds3

About 7-[2-(dimethylamino)phenyl]-5-ethyl-1H-pyrazolo[4,5-c]quinolin-4-one

7-[2-(dimethylamino)phenyl]-5-ethyl-1H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 71535602) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 7-[2-(dimethylamino)phenyl]-5-ethyl-1H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-[2-(dimethylamino)phenyl]-5-ethyl-1H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID71535602
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name7-[2-(dimethylamino)phenyl]-5-ethyl-1H-pyrazolo[4,5-c]quinolin-4-one
SMILESCCn1c(=O)c2cn[nH]c2c2ccc(-c3ccccc3N(C)C)cc21
InChIInChI=1S/C20H20N4O/c1-4-24-18-11-13(14-7-5-6-8-17(14)23(2)3)9-10-15(18)19-16(20(24)25)12-21-22-19/h5-12H,4H2,1-3H3,(H,21,22)
InChIKeySPQXHLWSWJVURN-UHFFFAOYSA-N
XLogP3.63
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(dimethylamino)phenyl]-5-ethyl-1H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 7-[2-(dimethylamino)phenyl]-5-ethyl-1H-pyrazolo[4,5-c]quinolin-4-one (CID 71535602) is 7-[2-(dimethylamino)phenyl]-5-ethyl-1H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-[2-(dimethylamino)phenyl]-5-ethyl-1H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-[2-(dimethylamino)phenyl]-5-ethyl-1H-pyrazolo[4,5-c]quinolin-4-one is CCn1c(=O)c2cn[nH]c2c2ccc(-c3ccccc3N(C)C)cc21.
What is the InChIKey of 7-[2-(dimethylamino)phenyl]-5-ethyl-1H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is SPQXHLWSWJVURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-4-24-18-11-13(14-7-5-6-8-17(14)23(2)3)9-10-15(18)19-16(20(24)25)12-21-22-19/h5-12H,4H2,1-3H3,(H,21,22).
What are the key properties of 7-[2-(dimethylamino)phenyl]-5-ethyl-1H-pyrazolo[4,5-c]quinolin-4-one?
7-[2-(dimethylamino)phenyl]-5-ethyl-1H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 332.41 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(dimethylamino)phenyl]-5-ethyl-1H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 71535602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).