(10aS)-2-(2-adamantyl)-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one

C21H26N2O — CID 59799642

IUPAC(10aS)-2-(2-adamantyl)-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
SMILESO=C1[C@@H]2Cc3ccccc3CN2CN1C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H26N2O/c24-21-19-10-15-3-1-2-4-16(15)11-22(19)12-23(21)20-17-6-13-5-14(8-17)9-18(20)7-13/h1-4,13-14,17-20H,5-12H2/t13?,14?,17?,18?,19-,20?/m0/s1
InChIKeyXQLXJFGYWRCADP-JOLKWQFUSA-N
MW322.45 g/mol
LogP3.04
Rot. Bonds1

About (10aS)-2-(2-adamantyl)-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one

(10aS)-2-(2-adamantyl)-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one (PubChem CID 59799642) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (10aS)-2-(2-adamantyl)-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one.

Molecular Properties

Compound Name(10aS)-2-(2-adamantyl)-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
PubChem CID59799642
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(10aS)-2-(2-adamantyl)-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
SMILESO=C1[C@@H]2Cc3ccccc3CN2CN1C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H26N2O/c24-21-19-10-15-3-1-2-4-16(15)11-22(19)12-23(21)20-17-6-13-5-14(8-17)9-18(20)7-13/h1-4,13-14,17-20H,5-12H2/t13?,14?,17?,18?,19-,20?/m0/s1
InChIKeyXQLXJFGYWRCADP-JOLKWQFUSA-N
XLogP3.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (10aS)-2-(2-adamantyl)-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (10aS)-2-(2-adamantyl)-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one?
The IUPAC name of (10aS)-2-(2-adamantyl)-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one (CID 59799642) is (10aS)-2-(2-adamantyl)-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one.
What is the SMILES notation for (10aS)-2-(2-adamantyl)-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one?
The canonical SMILES for (10aS)-2-(2-adamantyl)-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one is O=C1[C@@H]2Cc3ccccc3CN2CN1C1C2CC3CC(C2)CC1C3.
What is the InChIKey of (10aS)-2-(2-adamantyl)-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one?
The InChIKey is XQLXJFGYWRCADP-JOLKWQFUSA-N. The full InChI is InChI=1S/C21H26N2O/c24-21-19-10-15-3-1-2-4-16(15)11-22(19)12-23(21)20-17-6-13-5-14(8-17)9-18(20)7-13/h1-4,13-14,17-20H,5-12H2/t13?,14?,17?,18?,19-,20?/m0/s1.
What are the key properties of (10aS)-2-(2-adamantyl)-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one?
(10aS)-2-(2-adamantyl)-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one has a molecular weight of 322.45 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10aS)-2-(2-adamantyl)-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one is sourced from PubChem (CID 59799642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).