1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-thiophen-3-ylethanone

C18H15NO2S — CID 11185961

IUPAC1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)c1ccc2nc3c(cc2c1)CCCO3
InChIInChI=1S/C18H15NO2S/c20-17(8-12-5-7-22-11-12)13-3-4-16-15(9-13)10-14-2-1-6-21-18(14)19-16/h3-5,7,9-11H,1-2,6,8H2
InChIKeyNGDJXLPPONOJNZ-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.05
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-thiophen-3-ylethanone

1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-thiophen-3-ylethanone (PubChem CID 11185961) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-thiophen-3-ylethanone
PubChem CID11185961
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Name1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)c1ccc2nc3c(cc2c1)CCCO3
InChIInChI=1S/C18H15NO2S/c20-17(8-12-5-7-22-11-12)13-3-4-16-15(9-13)10-14-2-1-6-21-18(14)19-16/h3-5,7,9-11H,1-2,6,8H2
InChIKeyNGDJXLPPONOJNZ-UHFFFAOYSA-N
XLogP4.05
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 162653357
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2-(Furan-2-yl)-6-phenyl-4-thiophen-2-ylpyridine
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CID 46933323
2-(furan-2-yl)-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine
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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-thiophen-3-ylethanone (CID 11185961) is 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)c1ccc2nc3c(cc2c1)CCCO3.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-thiophen-3-ylethanone?
The InChIKey is NGDJXLPPONOJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c20-17(8-12-5-7-22-11-12)13-3-4-16-15(9-13)10-14-2-1-6-21-18(14)19-16/h3-5,7,9-11H,1-2,6,8H2.
What are the key properties of 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-thiophen-3-ylethanone?
1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-thiophen-3-ylethanone has a molecular weight of 309.39 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 11185961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).