2-N-[2-(diethylamino)ethyl]-9-N-phenyl-[1,3]thiazolo[5,4-b]quinoline-2,9-diamine

C22H25N5S — CID 10318315

IUPAC2-N-[2-(diethylamino)ethyl]-9-N-phenyl-[1,3]thiazolo[5,4-b]quinoline-2,9-diamine
SMILESCCN(CC)CCNc1nc2c(Nc3ccccc3)c3ccccc3nc2s1
InChIInChI=1S/C22H25N5S/c1-3-27(4-2)15-14-23-22-26-20-19(24-16-10-6-5-7-11-16)17-12-8-9-13-18(17)25-21(20)28-22/h5-13H,3-4,14-15H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyQBWYMYUODJLMLR-UHFFFAOYSA-N
MW391.54 g/mol
LogP5.34
Rot. Bonds8

About 2-N-[2-(diethylamino)ethyl]-9-N-phenyl-[1,3]thiazolo[5,4-b]quinoline-2,9-diamine

2-N-[2-(diethylamino)ethyl]-9-N-phenyl-[1,3]thiazolo[5,4-b]quinoline-2,9-diamine (PubChem CID 10318315) has the molecular formula C22H25N5S and a molecular weight of 391.54 g/mol. Its IUPAC name is 2-N-[2-(diethylamino)ethyl]-9-N-phenyl-[1,3]thiazolo[5,4-b]quinoline-2,9-diamine.

Molecular Properties

Compound Name2-N-[2-(diethylamino)ethyl]-9-N-phenyl-[1,3]thiazolo[5,4-b]quinoline-2,9-diamine
PubChem CID10318315
Molecular FormulaC22H25N5S
Molecular Weight391.54 g/mol
Exact Mass391.18
IUPAC Name2-N-[2-(diethylamino)ethyl]-9-N-phenyl-[1,3]thiazolo[5,4-b]quinoline-2,9-diamine
SMILESCCN(CC)CCNc1nc2c(Nc3ccccc3)c3ccccc3nc2s1
InChIInChI=1S/C22H25N5S/c1-3-27(4-2)15-14-23-22-26-20-19(24-16-10-6-5-7-11-16)17-12-8-9-13-18(17)25-21(20)28-22/h5-13H,3-4,14-15H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyQBWYMYUODJLMLR-UHFFFAOYSA-N
XLogP5.34
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.54
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(diethylamino)ethyl]-9-N-phenyl-[1,3]thiazolo[5,4-b]quinoline-2,9-diamine?
The IUPAC name of 2-N-[2-(diethylamino)ethyl]-9-N-phenyl-[1,3]thiazolo[5,4-b]quinoline-2,9-diamine (CID 10318315) is 2-N-[2-(diethylamino)ethyl]-9-N-phenyl-[1,3]thiazolo[5,4-b]quinoline-2,9-diamine.
What is the SMILES notation for 2-N-[2-(diethylamino)ethyl]-9-N-phenyl-[1,3]thiazolo[5,4-b]quinoline-2,9-diamine?
The canonical SMILES for 2-N-[2-(diethylamino)ethyl]-9-N-phenyl-[1,3]thiazolo[5,4-b]quinoline-2,9-diamine is CCN(CC)CCNc1nc2c(Nc3ccccc3)c3ccccc3nc2s1.
What is the InChIKey of 2-N-[2-(diethylamino)ethyl]-9-N-phenyl-[1,3]thiazolo[5,4-b]quinoline-2,9-diamine?
The InChIKey is QBWYMYUODJLMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5S/c1-3-27(4-2)15-14-23-22-26-20-19(24-16-10-6-5-7-11-16)17-12-8-9-13-18(17)25-21(20)28-22/h5-13H,3-4,14-15H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 2-N-[2-(diethylamino)ethyl]-9-N-phenyl-[1,3]thiazolo[5,4-b]quinoline-2,9-diamine?
2-N-[2-(diethylamino)ethyl]-9-N-phenyl-[1,3]thiazolo[5,4-b]quinoline-2,9-diamine has a molecular weight of 391.54 g/mol, XLogP of 5.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(diethylamino)ethyl]-9-N-phenyl-[1,3]thiazolo[5,4-b]quinoline-2,9-diamine is sourced from PubChem (CID 10318315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).