(3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone

C24H21N3O3S2 — CID 56694415

IUPAC(3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
SMILESCN1CCc2nc3sc(C(=O)c4ccc5c(c4)OCCO5)c(N)c3c(-c3cccs3)c2C1
InChIInChI=1S/C24H21N3O3S2/c1-27-7-6-15-14(12-27)19(18-3-2-10-31-18)20-21(25)23(32-24(20)26-15)22(28)13-4-5-16-17(11-13)30-9-8-29-16/h2-5,10-11H,6-9,12,25H2,1H3
InChIKeyQBGDMEUCKCWJAW-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.60
Rot. Bonds3

About (3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone

(3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone (PubChem CID 56694415) has the molecular formula C24H21N3O3S2 and a molecular weight of 463.58 g/mol. Its IUPAC name is (3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone.

Molecular Properties

Compound Name(3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
PubChem CID56694415
Molecular FormulaC24H21N3O3S2
Molecular Weight463.58 g/mol
Exact Mass463.10
IUPAC Name(3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
SMILESCN1CCc2nc3sc(C(=O)c4ccc5c(c4)OCCO5)c(N)c3c(-c3cccs3)c2C1
InChIInChI=1S/C24H21N3O3S2/c1-27-7-6-15-14(12-27)19(18-3-2-10-31-18)20-21(25)23(32-24(20)26-15)22(28)13-4-5-16-17(11-13)30-9-8-29-16/h2-5,10-11H,6-9,12,25H2,1H3
InChIKeyQBGDMEUCKCWJAW-UHFFFAOYSA-N
XLogP4.60
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
The IUPAC name of (3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone (CID 56694415) is (3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone.
What is the SMILES notation for (3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
The canonical SMILES for (3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone is CN1CCc2nc3sc(C(=O)c4ccc5c(c4)OCCO5)c(N)c3c(-c3cccs3)c2C1.
What is the InChIKey of (3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
The InChIKey is QBGDMEUCKCWJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S2/c1-27-7-6-15-14(12-27)19(18-3-2-10-31-18)20-21(25)23(32-24(20)26-15)22(28)13-4-5-16-17(11-13)30-9-8-29-16/h2-5,10-11H,6-9,12,25H2,1H3.
What are the key properties of (3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
(3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone has a molecular weight of 463.58 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone is sourced from PubChem (CID 56694415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).