5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridin-2-one

C14H14N2O — CID 56869022

IUPAC5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridin-2-one
SMILESO=c1ccc(-c2cccc3c2CCNC3)c[nH]1
InChIInChI=1S/C14H14N2O/c17-14-5-4-11(9-16-14)12-3-1-2-10-8-15-7-6-13(10)12/h1-5,9,15H,6-8H2,(H,16,17)
InChIKeyRPSBAPAWHKQVMR-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.69
Rot. Bonds1

About 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridin-2-one

5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridin-2-one (PubChem CID 56869022) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridin-2-one
PubChem CID56869022
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridin-2-one
SMILESO=c1ccc(-c2cccc3c2CCNC3)c[nH]1
InChIInChI=1S/C14H14N2O/c17-14-5-4-11(9-16-14)12-3-1-2-10-8-15-7-6-13(10)12/h1-5,9,15H,6-8H2,(H,16,17)
InChIKeyRPSBAPAWHKQVMR-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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Related Compounds

5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 56863104
N-[(1S)-1-[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethyl]acetamide
CID 95556788
1-[2-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethanone
CID 56875605
5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 56866430
N-[[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]methyl]cyclopropanamine
CID 56864418
2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 56875194
6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-4-amine
CID 56864814
6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 142671195
(2R)-2-[3-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenoxy]propanamide
CID 95554001
5-(1H-indol-4-yl)-1H-pyridin-2-one
CID 122200265
5-(3-methyl-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 56877313
5-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 56861224

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridin-2-one (CID 56869022) is 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridin-2-one is O=c1ccc(-c2cccc3c2CCNC3)c[nH]1.
What is the InChIKey of 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridin-2-one?
The InChIKey is RPSBAPAWHKQVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-14-5-4-11(9-16-14)12-3-1-2-10-8-15-7-6-13(10)12/h1-5,9,15H,6-8H2,(H,16,17).
What are the key properties of 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridin-2-one?
5-(1,2,3,4-tetrahydroisoquinolin-5-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 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 56869022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).