2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-pyridin-4-ylethanone

C17H14N2O3 — CID 7097255

IUPAC2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-pyridin-4-ylethanone
SMILESO=C(CC1=NCCc2cc3c(cc21)OCO3)c1ccncc1
InChIInChI=1S/C17H14N2O3/c20-15(11-1-4-18-5-2-11)9-14-13-8-17-16(21-10-22-17)7-12(13)3-6-19-14/h1-2,4-5,7-8H,3,6,9-10H2
InChIKeyHFPGESXCJKXVHX-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.43
Rot. Bonds3

About 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-pyridin-4-ylethanone

2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-pyridin-4-ylethanone (PubChem CID 7097255) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-pyridin-4-ylethanone.

Molecular Properties

Compound Name2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-pyridin-4-ylethanone
PubChem CID7097255
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-pyridin-4-ylethanone
SMILESO=C(CC1=NCCc2cc3c(cc21)OCO3)c1ccncc1
InChIInChI=1S/C17H14N2O3/c20-15(11-1-4-18-5-2-11)9-14-13-8-17-16(21-10-22-17)7-12(13)3-6-19-14/h1-2,4-5,7-8H,3,6,9-10H2
InChIKeyHFPGESXCJKXVHX-UHFFFAOYSA-N
XLogP2.43
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-pyridin-4-ylethanone with MolForge

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Related Compounds

2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(5-methylfuran-2-yl)ethanone
CID 7679266
5-ethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
CID 10954648
ethyl 7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5-carboxylate
CID 46197385
N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
CID 2089022
1-(3,4-dihydro-2H-chromen-7-yl)-4-pyridin-4-ylbutane-1,4-dione
CID 78322586
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylpyridine-4-carboxamide
CID 8894049
N-[amino(pyridin-4-yl)methylidene]-1,3-benzodioxole-5-carboxamide
CID 143910152
5-(2,4-difluorophenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
CID 73212263
2-(3,4-dihydroisoquinolin-1-yl)acetic acid
CID 4737805
[1,3]dioxolo[4,5-g]isoquinolin-5-yl(pyridin-4-yl)methanone
CID 91665278
(2-bromo-3,4-dimethoxyphenyl)-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanone
CID 10740711
5-[2-(4-fluorophenyl)ethenyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
CID 159763454

Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-pyridin-4-ylethanone?
The IUPAC name of 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-pyridin-4-ylethanone (CID 7097255) is 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-pyridin-4-ylethanone.
What is the SMILES notation for 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-pyridin-4-ylethanone?
The canonical SMILES for 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-pyridin-4-ylethanone is O=C(CC1=NCCc2cc3c(cc21)OCO3)c1ccncc1.
What is the InChIKey of 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-pyridin-4-ylethanone?
The InChIKey is HFPGESXCJKXVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-15(11-1-4-18-5-2-11)9-14-13-8-17-16(21-10-22-17)7-12(13)3-6-19-14/h1-2,4-5,7-8H,3,6,9-10H2.
What are the key properties of 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-pyridin-4-ylethanone?
2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-pyridin-4-ylethanone has a molecular weight of 294.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-pyridin-4-ylethanone is sourced from PubChem (CID 7097255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).