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

C21H25N3O2S — CID 123206643

IUPAC9-[3-[4-(aminomethyl)piperidin-1-yl]prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1C=CCN1CCC(CN)CC1
InChIInChI=1S/C21H25N3O2S/c1-26-18-5-4-17-19(16-8-12-27-20(16)21(25)23-17)15(18)3-2-9-24-10-6-14(13-22)7-11-24/h2-5,8,12,14H,6-7,9-11,13,22H2,1H3,(H,23,25)
InChIKeyIRPFRMRFMSYFHO-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.44
Rot. Bonds5

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

9-[3-[4-(aminomethyl)piperidin-1-yl]prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 123206643) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 9-[3-[4-(aminomethyl)piperidin-1-yl]prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-[3-[4-(aminomethyl)piperidin-1-yl]prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
PubChem CID123206643
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name9-[3-[4-(aminomethyl)piperidin-1-yl]prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1C=CCN1CCC(CN)CC1
InChIInChI=1S/C21H25N3O2S/c1-26-18-5-4-17-19(16-8-12-27-20(16)21(25)23-17)15(18)3-2-9-24-10-6-14(13-22)7-11-24/h2-5,8,12,14H,6-7,9-11,13,22H2,1H3,(H,23,25)
InChIKeyIRPFRMRFMSYFHO-UHFFFAOYSA-N
XLogP3.44
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9-[3-[4-(aminomethyl)piperidin-1-yl]prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one with MolForge

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Related Compounds

3-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)prop-2-enyl N-piperidin-4-ylcarbamate
CID 67449423
9-(4-cyclohexylbutyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 160583228
[1-[[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid
CID 67449733
9-[4-[2-(2-aminocyclopentyl)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67449221
9-(2-amino-2,3-dihydro-1H-inden-5-yl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 118194228
[1-(3-methoxythiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963889
9-[4-[2-(dimethylamino)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67448089
9-[4-(ethylaminomethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67450179
[4-(aminomethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81122977
[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963757
9-[4-[hydroxy(1,3-thiazol-2-yl)methyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67449091
[9-[4-(2-aminoethyl)phenyl]-4-oxo-5H-thieno[2,3-c]quinolin-8-yl] morpholine-4-carboxylate
CID 67449597

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(aminomethyl)piperidin-1-yl]prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-[3-[4-(aminomethyl)piperidin-1-yl]prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one (CID 123206643) is 9-[3-[4-(aminomethyl)piperidin-1-yl]prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-[3-[4-(aminomethyl)piperidin-1-yl]prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-[3-[4-(aminomethyl)piperidin-1-yl]prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one is COc1ccc2[nH]c(=O)c3sccc3c2c1C=CCN1CCC(CN)CC1.
What is the InChIKey of 9-[3-[4-(aminomethyl)piperidin-1-yl]prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is IRPFRMRFMSYFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-26-18-5-4-17-19(16-8-12-27-20(16)21(25)23-17)15(18)3-2-9-24-10-6-14(13-22)7-11-24/h2-5,8,12,14H,6-7,9-11,13,22H2,1H3,(H,23,25).
What are the key properties of 9-[3-[4-(aminomethyl)piperidin-1-yl]prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
9-[3-[4-(aminomethyl)piperidin-1-yl]prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 383.52 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-(aminomethyl)piperidin-1-yl]prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 123206643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).