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

C19H21N3O2S — CID 43812028

IUPAC(3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone
SMILESCC(C)c1ccc2nc3sc(C(=O)N4CCOCC4)c(N)c3cc2c1
InChIInChI=1S/C19H21N3O2S/c1-11(2)12-3-4-15-13(9-12)10-14-16(20)17(25-18(14)21-15)19(23)22-5-7-24-8-6-22/h3-4,9-11H,5-8,20H2,1-2H3
InChIKeyDKKXDKQDGSPVPN-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.63
Rot. Bonds2

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

(3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone (PubChem CID 43812028) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is (3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone
PubChem CID43812028
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name(3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone
SMILESCC(C)c1ccc2nc3sc(C(=O)N4CCOCC4)c(N)c3cc2c1
InChIInChI=1S/C19H21N3O2S/c1-11(2)12-3-4-15-13(9-12)10-14-16(20)17(25-18(14)21-15)19(23)22-5-7-24-8-6-22/h3-4,9-11H,5-8,20H2,1-2H3
InChIKeyDKKXDKQDGSPVPN-UHFFFAOYSA-N
XLogP3.63
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone (CID 43812028) is (3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone is CC(C)c1ccc2nc3sc(C(=O)N4CCOCC4)c(N)c3cc2c1.
What is the InChIKey of (3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone?
The InChIKey is DKKXDKQDGSPVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-11(2)12-3-4-15-13(9-12)10-14-16(20)17(25-18(14)21-15)19(23)22-5-7-24-8-6-22/h3-4,9-11H,5-8,20H2,1-2H3.
What are the key properties of (3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone?
(3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone has a molecular weight of 355.46 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 43812028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).