(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(1,3-benzodioxol-5-yl)methanone

C19H16N2O3S — CID 1086237

IUPAC(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(1,3-benzodioxol-5-yl)methanone
SMILESNc1c(C(=O)c2ccc3c(c2)OCO3)sc2nc3c(cc12)CCCC3
InChIInChI=1S/C19H16N2O3S/c20-16-12-7-10-3-1-2-4-13(10)21-19(12)25-18(16)17(22)11-5-6-14-15(8-11)24-9-23-14/h5-8H,1-4,9,20H2
InChIKeyFKNFSECYSWNAFC-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.72
Rot. Bonds2

About (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(1,3-benzodioxol-5-yl)methanone

(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(1,3-benzodioxol-5-yl)methanone (PubChem CID 1086237) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(1,3-benzodioxol-5-yl)methanone.

Molecular Properties

Compound Name(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(1,3-benzodioxol-5-yl)methanone
PubChem CID1086237
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(1,3-benzodioxol-5-yl)methanone
SMILESNc1c(C(=O)c2ccc3c(c2)OCO3)sc2nc3c(cc12)CCCC3
InChIInChI=1S/C19H16N2O3S/c20-16-12-7-10-3-1-2-4-13(10)21-19(12)25-18(16)17(22)11-5-6-14-15(8-11)24-9-23-14/h5-8H,1-4,9,20H2
InChIKeyFKNFSECYSWNAFC-UHFFFAOYSA-N
XLogP3.72
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(1,3-benzodioxol-5-yl)methanone?
The IUPAC name of (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(1,3-benzodioxol-5-yl)methanone (CID 1086237) is (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(1,3-benzodioxol-5-yl)methanone.
What is the SMILES notation for (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(1,3-benzodioxol-5-yl)methanone?
The canonical SMILES for (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(1,3-benzodioxol-5-yl)methanone is Nc1c(C(=O)c2ccc3c(c2)OCO3)sc2nc3c(cc12)CCCC3.
What is the InChIKey of (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(1,3-benzodioxol-5-yl)methanone?
The InChIKey is FKNFSECYSWNAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c20-16-12-7-10-3-1-2-4-13(10)21-19(12)25-18(16)17(22)11-5-6-14-15(8-11)24-9-23-14/h5-8H,1-4,9,20H2.
What are the key properties of (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(1,3-benzodioxol-5-yl)methanone?
(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(1,3-benzodioxol-5-yl)methanone has a molecular weight of 352.42 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(1,3-benzodioxol-5-yl)methanone is sourced from PubChem (CID 1086237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).