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

C20H23N3O2S — CID 67447163

IUPAC9-[(E)-3-(4-aminopiperidin-1-yl)prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1/C=C/CN1CCC(N)CC1
InChIInChI=1S/C20H23N3O2S/c1-25-17-5-4-16-18(15-8-12-26-19(15)20(24)22-16)14(17)3-2-9-23-10-6-13(21)7-11-23/h2-5,8,12-13H,6-7,9-11,21H2,1H3,(H,22,24)/b3-2+
InChIKeySKHYIRWDHHXTJT-NSCUHMNNSA-N
MW369.49 g/mol
LogP3.19
Rot. Bonds4

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

9-[(E)-3-(4-aminopiperidin-1-yl)prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 67447163) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 9-[(E)-3-(4-aminopiperidin-1-yl)prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-[(E)-3-(4-aminopiperidin-1-yl)prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
PubChem CID67447163
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name9-[(E)-3-(4-aminopiperidin-1-yl)prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1/C=C/CN1CCC(N)CC1
InChIInChI=1S/C20H23N3O2S/c1-25-17-5-4-16-18(15-8-12-26-19(15)20(24)22-16)14(17)3-2-9-23-10-6-13(21)7-11-23/h2-5,8,12-13H,6-7,9-11,21H2,1H3,(H,22,24)/b3-2+
InChIKeySKHYIRWDHHXTJT-NSCUHMNNSA-N
XLogP3.19
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(E)-3-(4-aminopiperidin-1-yl)prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-[(E)-3-(4-aminopiperidin-1-yl)prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one (CID 67447163) is 9-[(E)-3-(4-aminopiperidin-1-yl)prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-[(E)-3-(4-aminopiperidin-1-yl)prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-[(E)-3-(4-aminopiperidin-1-yl)prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one is COc1ccc2[nH]c(=O)c3sccc3c2c1/C=C/CN1CCC(N)CC1.
What is the InChIKey of 9-[(E)-3-(4-aminopiperidin-1-yl)prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is SKHYIRWDHHXTJT-NSCUHMNNSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-25-17-5-4-16-18(15-8-12-26-19(15)20(24)22-16)14(17)3-2-9-23-10-6-13(21)7-11-23/h2-5,8,12-13H,6-7,9-11,21H2,1H3,(H,22,24)/b3-2+.
What are the key properties of 9-[(E)-3-(4-aminopiperidin-1-yl)prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
9-[(E)-3-(4-aminopiperidin-1-yl)prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 369.49 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(E)-3-(4-aminopiperidin-1-yl)prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 67447163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).