6-(aminomethyl)-9-[2-(diethylamino)ethylamino]thiochromeno[3,2-b]pyridin-10-one

C19H24N4OS — CID 59114351

IUPAC6-(aminomethyl)-9-[2-(diethylamino)ethylamino]thiochromeno[3,2-b]pyridin-10-one
SMILESCCN(CC)CCNc1ccc(CN)c2sc3cccnc3c(=O)c12
InChIInChI=1S/C19H24N4OS/c1-3-23(4-2)11-10-21-14-8-7-13(12-20)19-16(14)18(24)17-15(25-19)6-5-9-22-17/h5-9,21H,3-4,10-12,20H2,1-2H3
InChIKeyCJQLODREIBYKDP-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.02
Rot. Bonds7

About 6-(aminomethyl)-9-[2-(diethylamino)ethylamino]thiochromeno[3,2-b]pyridin-10-one

6-(aminomethyl)-9-[2-(diethylamino)ethylamino]thiochromeno[3,2-b]pyridin-10-one (PubChem CID 59114351) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 6-(aminomethyl)-9-[2-(diethylamino)ethylamino]thiochromeno[3,2-b]pyridin-10-one.

Molecular Properties

Compound Name6-(aminomethyl)-9-[2-(diethylamino)ethylamino]thiochromeno[3,2-b]pyridin-10-one
PubChem CID59114351
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name6-(aminomethyl)-9-[2-(diethylamino)ethylamino]thiochromeno[3,2-b]pyridin-10-one
SMILESCCN(CC)CCNc1ccc(CN)c2sc3cccnc3c(=O)c12
InChIInChI=1S/C19H24N4OS/c1-3-23(4-2)11-10-21-14-8-7-13(12-20)19-16(14)18(24)17-15(25-19)6-5-9-22-17/h5-9,21H,3-4,10-12,20H2,1-2H3
InChIKeyCJQLODREIBYKDP-UHFFFAOYSA-N
XLogP3.02
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-(aminomethyl)-9-[2-(diethylamino)ethylamino]thiochromeno[3,2-c]pyridin-10-one;ethane
CID 142807817
N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-b]pyridin-9-yl]methyl]formamide
CID 59114365
1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one chloride
CID 5351142
N-[[1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl](113C)methyl]methane(15N)sulfonamide
CID 10342947
5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423
N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-c]pyridin-9-yl]methyl]methanesulfonamide
CID 59114371
N-[[1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl]-2-methoxybenzenesulfonamide
CID 22915332
[benzenesulfonyl-[2-[1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]ethyl]amino] methanesulfonate
CID 56988541
N-[9-(aminomethyl)-5-methylidenethiochromeno[2,3-b]pyridin-6-yl]-N',N'-diethylethane-1,2-diamine;ethane
CID 142807852
4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine
CID 83057902
1-[2-[ethyl-(2-hydroxy-2-methoxypropyl)amino]ethylamino]-4-methylthioxanthen-9-one;hydrochloride
CID 23618429
N-[[1-[2-(dimethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl]-N-methylformamide
CID 22915330

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-9-[2-(diethylamino)ethylamino]thiochromeno[3,2-b]pyridin-10-one?
The IUPAC name of 6-(aminomethyl)-9-[2-(diethylamino)ethylamino]thiochromeno[3,2-b]pyridin-10-one (CID 59114351) is 6-(aminomethyl)-9-[2-(diethylamino)ethylamino]thiochromeno[3,2-b]pyridin-10-one.
What is the SMILES notation for 6-(aminomethyl)-9-[2-(diethylamino)ethylamino]thiochromeno[3,2-b]pyridin-10-one?
The canonical SMILES for 6-(aminomethyl)-9-[2-(diethylamino)ethylamino]thiochromeno[3,2-b]pyridin-10-one is CCN(CC)CCNc1ccc(CN)c2sc3cccnc3c(=O)c12.
What is the InChIKey of 6-(aminomethyl)-9-[2-(diethylamino)ethylamino]thiochromeno[3,2-b]pyridin-10-one?
The InChIKey is CJQLODREIBYKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-3-23(4-2)11-10-21-14-8-7-13(12-20)19-16(14)18(24)17-15(25-19)6-5-9-22-17/h5-9,21H,3-4,10-12,20H2,1-2H3.
What are the key properties of 6-(aminomethyl)-9-[2-(diethylamino)ethylamino]thiochromeno[3,2-b]pyridin-10-one?
6-(aminomethyl)-9-[2-(diethylamino)ethylamino]thiochromeno[3,2-b]pyridin-10-one has a molecular weight of 356.50 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-9-[2-(diethylamino)ethylamino]thiochromeno[3,2-b]pyridin-10-one is sourced from PubChem (CID 59114351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).