(10aS)-2-(4-methoxyphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione

C18H16N2O3 — CID 660129

IUPAC(10aS)-2-(4-methoxyphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
SMILESCOc1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1
InChIInChI=1S/C18H16N2O3/c1-23-15-8-6-14(7-9-15)20-17(21)16-10-12-4-2-3-5-13(12)11-19(16)18(20)22/h2-9,16H,10-11H2,1H3/t16-/m0/s1
InChIKeyVQQPGGPRSKOZRP-INIZCTEOSA-N
MW308.34 g/mol
LogP2.59
Rot. Bonds2

About (10aS)-2-(4-methoxyphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione

(10aS)-2-(4-methoxyphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione (PubChem CID 660129) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (10aS)-2-(4-methoxyphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione.

Molecular Properties

Compound Name(10aS)-2-(4-methoxyphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
PubChem CID660129
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(10aS)-2-(4-methoxyphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
SMILESCOc1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1
InChIInChI=1S/C18H16N2O3/c1-23-15-8-6-14(7-9-15)20-17(21)16-10-12-4-2-3-5-13(12)11-19(16)18(20)22/h2-9,16H,10-11H2,1H3/t16-/m0/s1
InChIKeyVQQPGGPRSKOZRP-INIZCTEOSA-N
XLogP2.59
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (10aS)-2-(4-methoxyphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione?
The IUPAC name of (10aS)-2-(4-methoxyphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione (CID 660129) is (10aS)-2-(4-methoxyphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione.
What is the SMILES notation for (10aS)-2-(4-methoxyphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione?
The canonical SMILES for (10aS)-2-(4-methoxyphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione is COc1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1.
What is the InChIKey of (10aS)-2-(4-methoxyphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione?
The InChIKey is VQQPGGPRSKOZRP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-23-15-8-6-14(7-9-15)20-17(21)16-10-12-4-2-3-5-13(12)11-19(16)18(20)22/h2-9,16H,10-11H2,1H3/t16-/m0/s1.
What are the key properties of (10aS)-2-(4-methoxyphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione?
(10aS)-2-(4-methoxyphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione has a molecular weight of 308.34 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10aS)-2-(4-methoxyphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione is sourced from PubChem (CID 660129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).