3,7-dibutylpyrido[3,2-g]quinoline-5,10-dione

C20H22N2O2 — CID 12020016

IUPAC3,7-dibutylpyrido[3,2-g]quinoline-5,10-dione
SMILESCCCCc1cnc2c(c1)C(=O)c1cc(CCCC)cnc1C2=O
InChIInChI=1S/C20H22N2O2/c1-3-5-7-13-9-15-17(21-11-13)20(24)18-16(19(15)23)10-14(12-22-18)8-6-4-2/h9-12H,3-8H2,1-2H3
InChIKeyHWFYPDKIGRWYRO-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.94
Rot. Bonds6

About 3,7-dibutylpyrido[3,2-g]quinoline-5,10-dione

3,7-dibutylpyrido[3,2-g]quinoline-5,10-dione (PubChem CID 12020016) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3,7-dibutylpyrido[3,2-g]quinoline-5,10-dione.

Molecular Properties

Compound Name3,7-dibutylpyrido[3,2-g]quinoline-5,10-dione
PubChem CID12020016
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name3,7-dibutylpyrido[3,2-g]quinoline-5,10-dione
SMILESCCCCc1cnc2c(c1)C(=O)c1cc(CCCC)cnc1C2=O
InChIInChI=1S/C20H22N2O2/c1-3-5-7-13-9-15-17(21-11-13)20(24)18-16(19(15)23)10-14(12-22-18)8-6-4-2/h9-12H,3-8H2,1-2H3
InChIKeyHWFYPDKIGRWYRO-UHFFFAOYSA-N
XLogP3.94
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3,7-dibutylpyrido[3,2-g]quinoline-5,10-dione?
The IUPAC name of 3,7-dibutylpyrido[3,2-g]quinoline-5,10-dione (CID 12020016) is 3,7-dibutylpyrido[3,2-g]quinoline-5,10-dione.
What is the SMILES notation for 3,7-dibutylpyrido[3,2-g]quinoline-5,10-dione?
The canonical SMILES for 3,7-dibutylpyrido[3,2-g]quinoline-5,10-dione is CCCCc1cnc2c(c1)C(=O)c1cc(CCCC)cnc1C2=O.
What is the InChIKey of 3,7-dibutylpyrido[3,2-g]quinoline-5,10-dione?
The InChIKey is HWFYPDKIGRWYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-5-7-13-9-15-17(21-11-13)20(24)18-16(19(15)23)10-14(12-22-18)8-6-4-2/h9-12H,3-8H2,1-2H3.
What are the key properties of 3,7-dibutylpyrido[3,2-g]quinoline-5,10-dione?
3,7-dibutylpyrido[3,2-g]quinoline-5,10-dione has a molecular weight of 322.41 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dibutylpyrido[3,2-g]quinoline-5,10-dione is sourced from PubChem (CID 12020016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).