4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyridin-2-one

C14H14N2O — CID 126622798

IUPAC4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyridin-2-one
SMILESO=c1cc(-c2ccc3c(c2)CNCC3)cc[nH]1
InChIInChI=1S/C14H14N2O/c17-14-8-12(4-6-16-14)11-2-1-10-3-5-15-9-13(10)7-11/h1-2,4,6-8,15H,3,5,9H2,(H,16,17)
InChIKeyMDVUYXZLEQASOF-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.69
Rot. Bonds1

About 4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyridin-2-one

4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyridin-2-one (PubChem CID 126622798) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyridin-2-one
PubChem CID126622798
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyridin-2-one
SMILESO=c1cc(-c2ccc3c(c2)CNCC3)cc[nH]1
InChIInChI=1S/C14H14N2O/c17-14-8-12(4-6-16-14)11-2-1-10-3-5-15-9-13(10)7-11/h1-2,4,6-8,15H,3,5,9H2,(H,16,17)
InChIKeyMDVUYXZLEQASOF-UHFFFAOYSA-N
XLogP1.69
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyridin-2-one?
The IUPAC name of 4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyridin-2-one (CID 126622798) is 4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyridin-2-one is O=c1cc(-c2ccc3c(c2)CNCC3)cc[nH]1.
What is the InChIKey of 4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyridin-2-one?
The InChIKey is MDVUYXZLEQASOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-14-8-12(4-6-16-14)11-2-1-10-3-5-15-9-13(10)7-11/h1-2,4,6-8,15H,3,5,9H2,(H,16,17).
What are the key properties of 4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyridin-2-one?
4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyridin-2-one has a molecular weight of 226.28 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyridin-2-one is sourced from PubChem (CID 126622798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).