5-methyl-5,6-dihydrobenzimidazolo[2,1-f][1,6]naphthyridine-8,11-dione

C15H11N3O2 — CID 46933599

IUPAC5-methyl-5,6-dihydrobenzimidazolo[2,1-f][1,6]naphthyridine-8,11-dione
SMILESCC1Cn2c(nc3c2C(=O)C=CC3=O)-c2cccnc21
InChIInChI=1S/C15H11N3O2/c1-8-7-18-14-11(20)5-4-10(19)13(14)17-15(18)9-3-2-6-16-12(8)9/h2-6,8H,7H2,1H3
InChIKeyPYDPSQIVZPKFCA-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.00
Rot. Bonds

About 5-methyl-5,6-dihydrobenzimidazolo[2,1-f][1,6]naphthyridine-8,11-dione

5-methyl-5,6-dihydrobenzimidazolo[2,1-f][1,6]naphthyridine-8,11-dione (PubChem CID 46933599) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-methyl-5,6-dihydrobenzimidazolo[2,1-f][1,6]naphthyridine-8,11-dione.

Molecular Properties

Compound Name5-methyl-5,6-dihydrobenzimidazolo[2,1-f][1,6]naphthyridine-8,11-dione
PubChem CID46933599
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name5-methyl-5,6-dihydrobenzimidazolo[2,1-f][1,6]naphthyridine-8,11-dione
SMILESCC1Cn2c(nc3c2C(=O)C=CC3=O)-c2cccnc21
InChIInChI=1S/C15H11N3O2/c1-8-7-18-14-11(20)5-4-10(19)13(14)17-15(18)9-3-2-6-16-12(8)9/h2-6,8H,7H2,1H3
InChIKeyPYDPSQIVZPKFCA-UHFFFAOYSA-N
XLogP2.00
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.00
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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5,6-dihydrobenzimidazolo[2,1-f][1,6]naphthyridine-8,11-dione?
The IUPAC name of 5-methyl-5,6-dihydrobenzimidazolo[2,1-f][1,6]naphthyridine-8,11-dione (CID 46933599) is 5-methyl-5,6-dihydrobenzimidazolo[2,1-f][1,6]naphthyridine-8,11-dione.
What is the SMILES notation for 5-methyl-5,6-dihydrobenzimidazolo[2,1-f][1,6]naphthyridine-8,11-dione?
The canonical SMILES for 5-methyl-5,6-dihydrobenzimidazolo[2,1-f][1,6]naphthyridine-8,11-dione is CC1Cn2c(nc3c2C(=O)C=CC3=O)-c2cccnc21.
What is the InChIKey of 5-methyl-5,6-dihydrobenzimidazolo[2,1-f][1,6]naphthyridine-8,11-dione?
The InChIKey is PYDPSQIVZPKFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c1-8-7-18-14-11(20)5-4-10(19)13(14)17-15(18)9-3-2-6-16-12(8)9/h2-6,8H,7H2,1H3.
What are the key properties of 5-methyl-5,6-dihydrobenzimidazolo[2,1-f][1,6]naphthyridine-8,11-dione?
5-methyl-5,6-dihydrobenzimidazolo[2,1-f][1,6]naphthyridine-8,11-dione has a molecular weight of 265.27 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5,6-dihydrobenzimidazolo[2,1-f][1,6]naphthyridine-8,11-dione is sourced from PubChem (CID 46933599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).