2-(2,6-dichloroanilino)-6,6-dimethyl-3H-imidazo[4,5-h]isoquinoline-7,9-dione

C18H14Cl2N4O2 — CID 11047384

IUPAC2-(2,6-dichloroanilino)-6,6-dimethyl-3H-imidazo[4,5-h]isoquinoline-7,9-dione
SMILESCC1(C)C(=O)NC(=O)c2c1ccc1[nH]c(Nc3c(Cl)cccc3Cl)nc21
InChIInChI=1S/C18H14Cl2N4O2/c1-18(2)8-6-7-11-14(12(8)15(25)24-16(18)26)23-17(21-11)22-13-9(19)4-3-5-10(13)20/h3-7H,1-2H3,(H2,21,22,23)(H,24,25,26)
InChIKeyOHDGUYABCZECFT-UHFFFAOYSA-N
MW389.24 g/mol
LogP4.16
Rot. Bonds2

About 2-(2,6-dichloroanilino)-6,6-dimethyl-3H-imidazo[4,5-h]isoquinoline-7,9-dione

2-(2,6-dichloroanilino)-6,6-dimethyl-3H-imidazo[4,5-h]isoquinoline-7,9-dione (PubChem CID 11047384) has the molecular formula C18H14Cl2N4O2 and a molecular weight of 389.24 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-6,6-dimethyl-3H-imidazo[4,5-h]isoquinoline-7,9-dione.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-6,6-dimethyl-3H-imidazo[4,5-h]isoquinoline-7,9-dione
PubChem CID11047384
Molecular FormulaC18H14Cl2N4O2
Molecular Weight389.24 g/mol
Exact Mass388.05
IUPAC Name2-(2,6-dichloroanilino)-6,6-dimethyl-3H-imidazo[4,5-h]isoquinoline-7,9-dione
SMILESCC1(C)C(=O)NC(=O)c2c1ccc1[nH]c(Nc3c(Cl)cccc3Cl)nc21
InChIInChI=1S/C18H14Cl2N4O2/c1-18(2)8-6-7-11-14(12(8)15(25)24-16(18)26)23-17(21-11)22-13-9(19)4-3-5-10(13)20/h3-7H,1-2H3,(H2,21,22,23)(H,24,25,26)
InChIKeyOHDGUYABCZECFT-UHFFFAOYSA-N
XLogP4.16
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-6,6-dimethyl-3H-imidazo[4,5-h]isoquinoline-7,9-dione?
The IUPAC name of 2-(2,6-dichloroanilino)-6,6-dimethyl-3H-imidazo[4,5-h]isoquinoline-7,9-dione (CID 11047384) is 2-(2,6-dichloroanilino)-6,6-dimethyl-3H-imidazo[4,5-h]isoquinoline-7,9-dione.
What is the SMILES notation for 2-(2,6-dichloroanilino)-6,6-dimethyl-3H-imidazo[4,5-h]isoquinoline-7,9-dione?
The canonical SMILES for 2-(2,6-dichloroanilino)-6,6-dimethyl-3H-imidazo[4,5-h]isoquinoline-7,9-dione is CC1(C)C(=O)NC(=O)c2c1ccc1[nH]c(Nc3c(Cl)cccc3Cl)nc21.
What is the InChIKey of 2-(2,6-dichloroanilino)-6,6-dimethyl-3H-imidazo[4,5-h]isoquinoline-7,9-dione?
The InChIKey is OHDGUYABCZECFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O2/c1-18(2)8-6-7-11-14(12(8)15(25)24-16(18)26)23-17(21-11)22-13-9(19)4-3-5-10(13)20/h3-7H,1-2H3,(H2,21,22,23)(H,24,25,26).
What are the key properties of 2-(2,6-dichloroanilino)-6,6-dimethyl-3H-imidazo[4,5-h]isoquinoline-7,9-dione?
2-(2,6-dichloroanilino)-6,6-dimethyl-3H-imidazo[4,5-h]isoquinoline-7,9-dione has a molecular weight of 389.24 g/mol, XLogP of 4.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-6,6-dimethyl-3H-imidazo[4,5-h]isoquinoline-7,9-dione is sourced from PubChem (CID 11047384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).