(3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone

C18H19N3O3S — CID 1164074

IUPAC(3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone
SMILESCCOc1ccc2nc3sc(C(=O)N4CCOCC4)c(N)c3cc2c1
InChIInChI=1S/C18H19N3O3S/c1-2-24-12-3-4-14-11(9-12)10-13-15(19)16(25-17(13)20-14)18(22)21-5-7-23-8-6-21/h3-4,9-10H,2,5-8,19H2,1H3
InChIKeyNJQFVNLYKBXBNK-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.90
Rot. Bonds3

About (3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone

(3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone (PubChem CID 1164074) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is (3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone
PubChem CID1164074
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name(3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone
SMILESCCOc1ccc2nc3sc(C(=O)N4CCOCC4)c(N)c3cc2c1
InChIInChI=1S/C18H19N3O3S/c1-2-24-12-3-4-14-11(9-12)10-13-15(19)16(25-17(13)20-14)18(22)21-5-7-23-8-6-21/h3-4,9-10H,2,5-8,19H2,1H3
InChIKeyNJQFVNLYKBXBNK-UHFFFAOYSA-N
XLogP2.90
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone (CID 1164074) is (3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone is CCOc1ccc2nc3sc(C(=O)N4CCOCC4)c(N)c3cc2c1.
What is the InChIKey of (3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone?
The InChIKey is NJQFVNLYKBXBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-2-24-12-3-4-14-11(9-12)10-13-15(19)16(25-17(13)20-14)18(22)21-5-7-23-8-6-21/h3-4,9-10H,2,5-8,19H2,1H3.
What are the key properties of (3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone?
(3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone has a molecular weight of 357.44 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 1164074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).