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

C19H25N3OS — CID 23831200

IUPAC(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)c1sc2nc3c(cc2c1N)CCCC3
InChIInChI=1S/C19H25N3OS/c1-11-6-5-7-12(2)22(11)19(23)17-16(20)14-10-13-8-3-4-9-15(13)21-18(14)24-17/h10-12H,3-9,20H2,1-2H3/t11-,12-/m1/s1
InChIKeyPERGKTHAIORDHT-VXGBXAGGSA-N
MW343.50 g/mol
LogP4.16
Rot. Bonds1

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

(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone (PubChem CID 23831200) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
PubChem CID23831200
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)c1sc2nc3c(cc2c1N)CCCC3
InChIInChI=1S/C19H25N3OS/c1-11-6-5-7-12(2)22(11)19(23)17-16(20)14-10-13-8-3-4-9-15(13)21-18(14)24-17/h10-12H,3-9,20H2,1-2H3/t11-,12-/m1/s1
InChIKeyPERGKTHAIORDHT-VXGBXAGGSA-N
XLogP4.16
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The IUPAC name of (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone (CID 23831200) is (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone is C[C@@H]1CCC[C@@H](C)N1C(=O)c1sc2nc3c(cc2c1N)CCCC3.
What is the InChIKey of (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The InChIKey is PERGKTHAIORDHT-VXGBXAGGSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-11-6-5-7-12(2)22(11)19(23)17-16(20)14-10-13-8-3-4-9-15(13)21-18(14)24-17/h10-12H,3-9,20H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone?
(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone has a molecular weight of 343.50 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 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)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 23831200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).