2,3-dihydrothieno[2,3-b]quinolin-6-yl-(4-methoxycyclohexyl)methanone

C19H21NO2S — CID 11232687

IUPAC2,3-dihydrothieno[2,3-b]quinolin-6-yl-(4-methoxycyclohexyl)methanone
SMILESCOC1CCC(C(=O)c2ccc3nc4c(cc3c2)CCS4)CC1
InChIInChI=1S/C19H21NO2S/c1-22-16-5-2-12(3-6-16)18(21)13-4-7-17-15(10-13)11-14-8-9-23-19(14)20-17/h4,7,10-12,16H,2-3,5-6,8-9H2,1H3
InChIKeyLGWIMMOJBXEMBA-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.27
Rot. Bonds3

About 2,3-dihydrothieno[2,3-b]quinolin-6-yl-(4-methoxycyclohexyl)methanone

2,3-dihydrothieno[2,3-b]quinolin-6-yl-(4-methoxycyclohexyl)methanone (PubChem CID 11232687) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is 2,3-dihydrothieno[2,3-b]quinolin-6-yl-(4-methoxycyclohexyl)methanone.

Molecular Properties

Compound Name2,3-dihydrothieno[2,3-b]quinolin-6-yl-(4-methoxycyclohexyl)methanone
PubChem CID11232687
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name2,3-dihydrothieno[2,3-b]quinolin-6-yl-(4-methoxycyclohexyl)methanone
SMILESCOC1CCC(C(=O)c2ccc3nc4c(cc3c2)CCS4)CC1
InChIInChI=1S/C19H21NO2S/c1-22-16-5-2-12(3-6-16)18(21)13-4-7-17-15(10-13)11-14-8-9-23-19(14)20-17/h4,7,10-12,16H,2-3,5-6,8-9H2,1H3
InChIKeyLGWIMMOJBXEMBA-UHFFFAOYSA-N
XLogP4.27
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothieno[2,3-b]quinolin-6-yl-(4-methoxycyclohexyl)methanone?
The IUPAC name of 2,3-dihydrothieno[2,3-b]quinolin-6-yl-(4-methoxycyclohexyl)methanone (CID 11232687) is 2,3-dihydrothieno[2,3-b]quinolin-6-yl-(4-methoxycyclohexyl)methanone.
What is the SMILES notation for 2,3-dihydrothieno[2,3-b]quinolin-6-yl-(4-methoxycyclohexyl)methanone?
The canonical SMILES for 2,3-dihydrothieno[2,3-b]quinolin-6-yl-(4-methoxycyclohexyl)methanone is COC1CCC(C(=O)c2ccc3nc4c(cc3c2)CCS4)CC1.
What is the InChIKey of 2,3-dihydrothieno[2,3-b]quinolin-6-yl-(4-methoxycyclohexyl)methanone?
The InChIKey is LGWIMMOJBXEMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-22-16-5-2-12(3-6-16)18(21)13-4-7-17-15(10-13)11-14-8-9-23-19(14)20-17/h4,7,10-12,16H,2-3,5-6,8-9H2,1H3.
What are the key properties of 2,3-dihydrothieno[2,3-b]quinolin-6-yl-(4-methoxycyclohexyl)methanone?
2,3-dihydrothieno[2,3-b]quinolin-6-yl-(4-methoxycyclohexyl)methanone has a molecular weight of 327.45 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothieno[2,3-b]quinolin-6-yl-(4-methoxycyclohexyl)methanone is sourced from PubChem (CID 11232687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).