1-benzyl-8-methylimidazo[4,5-g]quinoline-4,9-dione

C18H13N3O2 — CID 11312718

IUPAC1-benzyl-8-methylimidazo[4,5-g]quinoline-4,9-dione
SMILESCc1ccnc2c1C(=O)c1c(ncn1Cc1ccccc1)C2=O
InChIInChI=1S/C18H13N3O2/c1-11-7-8-19-14-13(11)17(22)16-15(18(14)23)20-10-21(16)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3
InChIKeyXBVNCFXSEFABCU-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.41
Rot. Bonds2

About 1-benzyl-8-methylimidazo[4,5-g]quinoline-4,9-dione

1-benzyl-8-methylimidazo[4,5-g]quinoline-4,9-dione (PubChem CID 11312718) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-benzyl-8-methylimidazo[4,5-g]quinoline-4,9-dione.

Molecular Properties

Compound Name1-benzyl-8-methylimidazo[4,5-g]quinoline-4,9-dione
PubChem CID11312718
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name1-benzyl-8-methylimidazo[4,5-g]quinoline-4,9-dione
SMILESCc1ccnc2c1C(=O)c1c(ncn1Cc1ccccc1)C2=O
InChIInChI=1S/C18H13N3O2/c1-11-7-8-19-14-13(11)17(22)16-15(18(14)23)20-10-21(16)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3
InChIKeyXBVNCFXSEFABCU-UHFFFAOYSA-N
XLogP2.41
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

3-(3-benzyl-5-phenylimidazol-4-yl)-2-methylcyclohex-2-en-1-one
CID 162402925
1-benzyl-7-methylbenzimidazole
CID 10933051
3-benzyl-5-(2,6-difluorophenyl)imidazol-4-amine
CID 62019787
1-benzyl-4-iodo-5-(2-methylphenyl)imidazole
CID 73056712
3-benzyl-5-bromo-6-methylpyrimidin-4-one
CID 66308961
5-amino-1-benzylpyrido[4,3-d]pyrimidin-4-one
CID 13258439
3-benzylimidazo[4,5-b]pyridine
CID 11009167
3-benzyl-6-methyl-5-propan-2-ylpyrimidin-4-one
CID 141080903
3-(2-methylpropyl)benzo[f]benzimidazole-4,9-dione
CID 18679019
3-benzyl-6-hydroxy-7-methylquinazolin-4-one
CID 58824218
1-benzyl-2-methylimidazole
CID 158634472
2-(1-benzyl-5-methylimidazol-4-yl)ethanamine
CID 14375242

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-methylimidazo[4,5-g]quinoline-4,9-dione?
The IUPAC name of 1-benzyl-8-methylimidazo[4,5-g]quinoline-4,9-dione (CID 11312718) is 1-benzyl-8-methylimidazo[4,5-g]quinoline-4,9-dione.
What is the SMILES notation for 1-benzyl-8-methylimidazo[4,5-g]quinoline-4,9-dione?
The canonical SMILES for 1-benzyl-8-methylimidazo[4,5-g]quinoline-4,9-dione is Cc1ccnc2c1C(=O)c1c(ncn1Cc1ccccc1)C2=O.
What is the InChIKey of 1-benzyl-8-methylimidazo[4,5-g]quinoline-4,9-dione?
The InChIKey is XBVNCFXSEFABCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-11-7-8-19-14-13(11)17(22)16-15(18(14)23)20-10-21(16)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3.
What are the key properties of 1-benzyl-8-methylimidazo[4,5-g]quinoline-4,9-dione?
1-benzyl-8-methylimidazo[4,5-g]quinoline-4,9-dione has a molecular weight of 303.32 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-methylimidazo[4,5-g]quinoline-4,9-dione is sourced from PubChem (CID 11312718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).