9-[4-[(3-aminopiperidin-1-yl)methyl]-3-fluorophenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one

C24H24FN3O2S — CID 67447240

IUPAC9-[4-[(3-aminopiperidin-1-yl)methyl]-3-fluorophenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CN2CCCC(N)C2)c(F)c1
InChIInChI=1S/C24H24FN3O2S/c1-30-20-7-6-19-22(17-8-10-31-23(17)24(29)27-19)21(20)14-4-5-15(18(25)11-14)12-28-9-2-3-16(26)13-28/h4-8,10-11,16H,2-3,9,12-13,26H2,1H3,(H,27,29)
InChIKeyCBQLXBJBWQKJCL-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.48
Rot. Bonds4

About 9-[4-[(3-aminopiperidin-1-yl)methyl]-3-fluorophenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one

9-[4-[(3-aminopiperidin-1-yl)methyl]-3-fluorophenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 67447240) has the molecular formula C24H24FN3O2S and a molecular weight of 437.54 g/mol. Its IUPAC name is 9-[4-[(3-aminopiperidin-1-yl)methyl]-3-fluorophenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-[4-[(3-aminopiperidin-1-yl)methyl]-3-fluorophenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
PubChem CID67447240
Molecular FormulaC24H24FN3O2S
Molecular Weight437.54 g/mol
Exact Mass437.16
IUPAC Name9-[4-[(3-aminopiperidin-1-yl)methyl]-3-fluorophenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CN2CCCC(N)C2)c(F)c1
InChIInChI=1S/C24H24FN3O2S/c1-30-20-7-6-19-22(17-8-10-31-23(17)24(29)27-19)21(20)14-4-5-15(18(25)11-14)12-28-9-2-3-16(26)13-28/h4-8,10-11,16H,2-3,9,12-13,26H2,1H3,(H,27,29)
InChIKeyCBQLXBJBWQKJCL-UHFFFAOYSA-N
XLogP4.48
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[(3-aminopiperidin-1-yl)methyl]-3-fluorophenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-[4-[(3-aminopiperidin-1-yl)methyl]-3-fluorophenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one (CID 67447240) is 9-[4-[(3-aminopiperidin-1-yl)methyl]-3-fluorophenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-[4-[(3-aminopiperidin-1-yl)methyl]-3-fluorophenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-[4-[(3-aminopiperidin-1-yl)methyl]-3-fluorophenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one is COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CN2CCCC(N)C2)c(F)c1.
What is the InChIKey of 9-[4-[(3-aminopiperidin-1-yl)methyl]-3-fluorophenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is CBQLXBJBWQKJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2S/c1-30-20-7-6-19-22(17-8-10-31-23(17)24(29)27-19)21(20)14-4-5-15(18(25)11-14)12-28-9-2-3-16(26)13-28/h4-8,10-11,16H,2-3,9,12-13,26H2,1H3,(H,27,29).
What are the key properties of 9-[4-[(3-aminopiperidin-1-yl)methyl]-3-fluorophenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
9-[4-[(3-aminopiperidin-1-yl)methyl]-3-fluorophenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 437.54 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[(3-aminopiperidin-1-yl)methyl]-3-fluorophenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 67447240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).