7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one;5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-2-one

C18H22N4O2 — CID 158152485

IUPAC7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one;5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-2-one
SMILESO=C1CN2C=CC3=C(CCCC3)C2=N1.O=C1CN2CCCCC2=N1
InChIInChI=1S/C11H12N2O.C7H10N2O/c14-10-7-13-6-5-8-3-1-2-4-9(8)11(13)12-10;10-7-5-9-4-2-1-3-6(9)8-7/h5-6H,1-4,7H2;1-5H2
InChIKeyFVGZQZKQNKQBJE-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.04
Rot. Bonds

About 7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one;5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-2-one

7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one;5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-2-one (PubChem CID 158152485) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one;5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-2-one.

Molecular Properties

Compound Name7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one;5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-2-one
PubChem CID158152485
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one;5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-2-one
SMILESO=C1CN2C=CC3=C(CCCC3)C2=N1.O=C1CN2CCCCC2=N1
InChIInChI=1S/C11H12N2O.C7H10N2O/c14-10-7-13-6-5-8-3-1-2-4-9(8)11(13)12-10;10-7-5-9-4-2-1-3-6(9)8-7/h5-6H,1-4,7H2;1-5H2
InChIKeyFVGZQZKQNKQBJE-UHFFFAOYSA-N
XLogP2.04
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one;5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-2-one with MolForge

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Related Compounds

7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one
CID 58746149
ethane;7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one
CID 143658730
1-[2-(Cyclohexen-1-yl)ethyl]-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazine-2,3-dione
CID 168002656

Frequently Asked Questions

What is the IUPAC name of 7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one;5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-2-one?
The IUPAC name of 7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one;5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-2-one (CID 158152485) is 7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one;5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-2-one.
What is the SMILES notation for 7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one;5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-2-one?
The canonical SMILES for 7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one;5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-2-one is O=C1CN2C=CC3=C(CCCC3)C2=N1.O=C1CN2CCCCC2=N1.
What is the InChIKey of 7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one;5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-2-one?
The InChIKey is FVGZQZKQNKQBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.C7H10N2O/c14-10-7-13-6-5-8-3-1-2-4-9(8)11(13)12-10;10-7-5-9-4-2-1-3-6(9)8-7/h5-6H,1-4,7H2;1-5H2.
What are the key properties of 7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one;5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-2-one?
7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one;5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-2-one has a molecular weight of 326.40 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one;5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-2-one is sourced from PubChem (CID 158152485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).