9-[1-[1-(dimethylamino)propan-2-yl]pyrazol-3-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one

C20H22N4O2S — CID 118194197

IUPAC9-[1-[1-(dimethylamino)propan-2-yl]pyrazol-3-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccn(C(C)CN(C)C)n1
InChIInChI=1S/C20H22N4O2S/c1-12(11-23(2)3)24-9-7-15(22-24)18-16(26-4)6-5-14-17(18)13-8-10-27-19(13)20(25)21-14/h5-10,12H,11H2,1-4H3,(H,21,25)
InChIKeyGPMFUIOPLKKWAM-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.74
Rot. Bonds5

About 9-[1-[1-(dimethylamino)propan-2-yl]pyrazol-3-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one

9-[1-[1-(dimethylamino)propan-2-yl]pyrazol-3-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 118194197) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 9-[1-[1-(dimethylamino)propan-2-yl]pyrazol-3-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-[1-[1-(dimethylamino)propan-2-yl]pyrazol-3-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
PubChem CID118194197
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name9-[1-[1-(dimethylamino)propan-2-yl]pyrazol-3-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccn(C(C)CN(C)C)n1
InChIInChI=1S/C20H22N4O2S/c1-12(11-23(2)3)24-9-7-15(22-24)18-16(26-4)6-5-14-17(18)13-8-10-27-19(13)20(25)21-14/h5-10,12H,11H2,1-4H3,(H,21,25)
InChIKeyGPMFUIOPLKKWAM-UHFFFAOYSA-N
XLogP3.74
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[1-[1-(dimethylamino)propan-2-yl]pyrazol-3-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-[1-[1-(dimethylamino)propan-2-yl]pyrazol-3-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one (CID 118194197) is 9-[1-[1-(dimethylamino)propan-2-yl]pyrazol-3-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-[1-[1-(dimethylamino)propan-2-yl]pyrazol-3-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-[1-[1-(dimethylamino)propan-2-yl]pyrazol-3-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one is COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccn(C(C)CN(C)C)n1.
What is the InChIKey of 9-[1-[1-(dimethylamino)propan-2-yl]pyrazol-3-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is GPMFUIOPLKKWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-12(11-23(2)3)24-9-7-15(22-24)18-16(26-4)6-5-14-17(18)13-8-10-27-19(13)20(25)21-14/h5-10,12H,11H2,1-4H3,(H,21,25).
What are the key properties of 9-[1-[1-(dimethylamino)propan-2-yl]pyrazol-3-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
9-[1-[1-(dimethylamino)propan-2-yl]pyrazol-3-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 382.49 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-[1-(dimethylamino)propan-2-yl]pyrazol-3-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 118194197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).