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

C18H18N4OS — CID 3214186

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone
SMILESCn1c(SCC(=O)N2CCCc3ccccc32)nc2cccnc21
InChIInChI=1S/C18H18N4OS/c1-21-17-14(8-4-10-19-17)20-18(21)24-12-16(23)22-11-5-7-13-6-2-3-9-15(13)22/h2-4,6,8-10H,5,7,11-12H2,1H3
InChIKeyWIBJCSJMPSHSPS-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.04
Rot. Bonds3

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

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone (PubChem CID 3214186) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone
PubChem CID3214186
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone
SMILESCn1c(SCC(=O)N2CCCc3ccccc32)nc2cccnc21
InChIInChI=1S/C18H18N4OS/c1-21-17-14(8-4-10-19-17)20-18(21)24-12-16(23)22-11-5-7-13-6-2-3-9-15(13)22/h2-4,6,8-10H,5,7,11-12H2,1H3
InChIKeyWIBJCSJMPSHSPS-UHFFFAOYSA-N
XLogP3.04
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.04
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-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone (CID 3214186) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone is Cn1c(SCC(=O)N2CCCc3ccccc32)nc2cccnc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone?
The InChIKey is WIBJCSJMPSHSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-21-17-14(8-4-10-19-17)20-18(21)24-12-16(23)22-11-5-7-13-6-2-3-9-15(13)22/h2-4,6,8-10H,5,7,11-12H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone has a molecular weight of 338.44 g/mol, XLogP of 3.04, 3 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-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone is sourced from PubChem (CID 3214186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).