1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone

C19H20N4OS — CID 652911

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone
SMILESCCn1c(SCC(=O)N2CCCc3ccccc32)nc2cccnc21
InChIInChI=1S/C19H20N4OS/c1-2-22-18-15(9-5-11-20-18)21-19(22)25-13-17(24)23-12-6-8-14-7-3-4-10-16(14)23/h3-5,7,9-11H,2,6,8,12-13H2,1H3
InChIKeyZSVLCFSQYCVBPU-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.52
Rot. Bonds4

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone (PubChem CID 652911) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone
PubChem CID652911
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone
SMILESCCn1c(SCC(=O)N2CCCc3ccccc32)nc2cccnc21
InChIInChI=1S/C19H20N4OS/c1-2-22-18-15(9-5-11-20-18)21-19(22)25-13-17(24)23-12-6-8-14-7-3-4-10-16(14)23/h3-5,7,9-11H,2,6,8,12-13H2,1H3
InChIKeyZSVLCFSQYCVBPU-UHFFFAOYSA-N
XLogP3.52
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone (CID 652911) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone is CCn1c(SCC(=O)N2CCCc3ccccc32)nc2cccnc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone?
The InChIKey is ZSVLCFSQYCVBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-2-22-18-15(9-5-11-20-18)21-19(22)25-13-17(24)23-12-6-8-14-7-3-4-10-16(14)23/h3-5,7,9-11H,2,6,8,12-13H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone has a molecular weight of 352.46 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone is sourced from PubChem (CID 652911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).