4-acetyl-7-pyridin-2-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one

C16H16N2O2 — CID 160934517

IUPAC4-acetyl-7-pyridin-2-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
SMILESCC(=O)c1c2c(c[nH]c1=O)CC(c1ccccn1)CC2
InChIInChI=1S/C16H16N2O2/c1-10(19)15-13-6-5-11(14-4-2-3-7-17-14)8-12(13)9-18-16(15)20/h2-4,7,9,11H,5-6,8H2,1H3,(H,18,20)
InChIKeySTRVPYNBXWZXFM-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.24
Rot. Bonds2

About 4-acetyl-7-pyridin-2-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one

4-acetyl-7-pyridin-2-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one (PubChem CID 160934517) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-acetyl-7-pyridin-2-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one.

Molecular Properties

Compound Name4-acetyl-7-pyridin-2-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
PubChem CID160934517
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name4-acetyl-7-pyridin-2-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
SMILESCC(=O)c1c2c(c[nH]c1=O)CC(c1ccccn1)CC2
InChIInChI=1S/C16H16N2O2/c1-10(19)15-13-6-5-11(14-4-2-3-7-17-14)8-12(13)9-18-16(15)20/h2-4,7,9,11H,5-6,8H2,1H3,(H,18,20)
InChIKeySTRVPYNBXWZXFM-UHFFFAOYSA-N
XLogP2.24
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-acetyl-7-pyridin-2-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one with MolForge

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Launch Full Analysis

Related Compounds

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2-(1,2,3,4-tetrahydrochrysen-2-yl)pyridine
CID 174836526
3-pyridin-2-ylcyclodecan-1-one
CID 175713281
2-(3,5,7-tripyridin-2-ylcyclooctyl)pyridine
CID 58652114
4-pyridin-2-ylpyrrolidin-2-one
CID 47002994
1-[(3R)-5-methyl-3-pyridin-2-yl-2,3-dihydrofuran-4-yl]ethanone
CID 125480249
1,7-dihydropurin-6-one;1-pyridin-2-ylethanone
CID 135827974
4-pyridin-2-yloxane-2,6-dione
CID 82125584
(2Z)-2-[(2-methoxyphenyl)methylidene]-4-pyridin-2-ylcyclohexan-1-one
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propan-2-one;1-pyridin-2-ylethanone
CID 158043833

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-7-pyridin-2-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one?
The IUPAC name of 4-acetyl-7-pyridin-2-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one (CID 160934517) is 4-acetyl-7-pyridin-2-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one.
What is the SMILES notation for 4-acetyl-7-pyridin-2-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one?
The canonical SMILES for 4-acetyl-7-pyridin-2-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one is CC(=O)c1c2c(c[nH]c1=O)CC(c1ccccn1)CC2.
What is the InChIKey of 4-acetyl-7-pyridin-2-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one?
The InChIKey is STRVPYNBXWZXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10(19)15-13-6-5-11(14-4-2-3-7-17-14)8-12(13)9-18-16(15)20/h2-4,7,9,11H,5-6,8H2,1H3,(H,18,20).
What are the key properties of 4-acetyl-7-pyridin-2-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one?
4-acetyl-7-pyridin-2-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one has a molecular weight of 268.32 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-7-pyridin-2-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one is sourced from PubChem (CID 160934517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).