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

C17H17N3O2S — CID 646043

IUPAC(3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone
SMILESCc1ccc2nc3sc(C(=O)N4CCOCC4)c(N)c3cc2c1
InChIInChI=1S/C17H17N3O2S/c1-10-2-3-13-11(8-10)9-12-14(18)15(23-16(12)19-13)17(21)20-4-6-22-7-5-20/h2-3,8-9H,4-7,18H2,1H3
InChIKeyQEKJUDMEUXQWLD-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.81
Rot. Bonds1

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

(3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone (PubChem CID 646043) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is (3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone
PubChem CID646043
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name(3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone
SMILESCc1ccc2nc3sc(C(=O)N4CCOCC4)c(N)c3cc2c1
InChIInChI=1S/C17H17N3O2S/c1-10-2-3-13-11(8-10)9-12-14(18)15(23-16(12)19-13)17(21)20-4-6-22-7-5-20/h2-3,8-9H,4-7,18H2,1H3
InChIKeyQEKJUDMEUXQWLD-UHFFFAOYSA-N
XLogP2.81
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone (CID 646043) is (3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone is Cc1ccc2nc3sc(C(=O)N4CCOCC4)c(N)c3cc2c1.
What is the InChIKey of (3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone?
The InChIKey is QEKJUDMEUXQWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-10-2-3-13-11(8-10)9-12-14(18)15(23-16(12)19-13)17(21)20-4-6-22-7-5-20/h2-3,8-9H,4-7,18H2,1H3.
What are the key properties of (3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone?
(3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone has a molecular weight of 327.41 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 646043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).