8-[5-[2-(dimethylamino)ethyl]thiophen-2-yl]-5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one

C21H24N4OS — CID 58601154

IUPAC8-[5-[2-(dimethylamino)ethyl]thiophen-2-yl]-5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCCn1c(=O)c2c(C)[nH]nc2c2cc(-c3ccc(CCN(C)C)s3)ccc21
InChIInChI=1S/C21H24N4OS/c1-5-25-17-8-6-14(18-9-7-15(27-18)10-11-24(3)4)12-16(17)20-19(21(25)26)13(2)22-23-20/h6-9,12H,5,10-11H2,1-4H3,(H,22,23)
InChIKeySUAYKNLNRWLNTD-UHFFFAOYSA-N
MW380.52 g/mol
LogP4.04
Rot. Bonds5

About 8-[5-[2-(dimethylamino)ethyl]thiophen-2-yl]-5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one

8-[5-[2-(dimethylamino)ethyl]thiophen-2-yl]-5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 58601154) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 8-[5-[2-(dimethylamino)ethyl]thiophen-2-yl]-5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name8-[5-[2-(dimethylamino)ethyl]thiophen-2-yl]-5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID58601154
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name8-[5-[2-(dimethylamino)ethyl]thiophen-2-yl]-5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCCn1c(=O)c2c(C)[nH]nc2c2cc(-c3ccc(CCN(C)C)s3)ccc21
InChIInChI=1S/C21H24N4OS/c1-5-25-17-8-6-14(18-9-7-15(27-18)10-11-24(3)4)12-16(17)20-19(21(25)26)13(2)22-23-20/h6-9,12H,5,10-11H2,1-4H3,(H,22,23)
InChIKeySUAYKNLNRWLNTD-UHFFFAOYSA-N
XLogP4.04
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[5-[2-(dimethylamino)ethyl]thiophen-2-yl]-5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 8-[5-[2-(dimethylamino)ethyl]thiophen-2-yl]-5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one (CID 58601154) is 8-[5-[2-(dimethylamino)ethyl]thiophen-2-yl]-5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 8-[5-[2-(dimethylamino)ethyl]thiophen-2-yl]-5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 8-[5-[2-(dimethylamino)ethyl]thiophen-2-yl]-5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one is CCn1c(=O)c2c(C)[nH]nc2c2cc(-c3ccc(CCN(C)C)s3)ccc21.
What is the InChIKey of 8-[5-[2-(dimethylamino)ethyl]thiophen-2-yl]-5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is SUAYKNLNRWLNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-5-25-17-8-6-14(18-9-7-15(27-18)10-11-24(3)4)12-16(17)20-19(21(25)26)13(2)22-23-20/h6-9,12H,5,10-11H2,1-4H3,(H,22,23).
What are the key properties of 8-[5-[2-(dimethylamino)ethyl]thiophen-2-yl]-5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one?
8-[5-[2-(dimethylamino)ethyl]thiophen-2-yl]-5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 380.52 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[2-(dimethylamino)ethyl]thiophen-2-yl]-5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 58601154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).