2,7-bis(2-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione

C26H20N2O2 — CID 139781798

IUPAC2,7-bis(2-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
SMILESCc1ccccc1-c1cc(=O)c2cc3[nH]c(-c4ccccc4C)cc(=O)c3cc2[nH]1
InChIInChI=1S/C26H20N2O2/c1-15-7-3-5-9-17(15)23-13-25(29)19-12-22-20(11-21(19)27-23)26(30)14-24(28-22)18-10-6-4-8-16(18)2/h3-14H,1-2H3,(H,27,29)(H,28,30)
InChIKeyWCOOGUMHGXLQHM-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.32
Rot. Bonds2

About 2,7-bis(2-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione

2,7-bis(2-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione (PubChem CID 139781798) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2,7-bis(2-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione.

Molecular Properties

Compound Name2,7-bis(2-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
PubChem CID139781798
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC Name2,7-bis(2-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
SMILESCc1ccccc1-c1cc(=O)c2cc3[nH]c(-c4ccccc4C)cc(=O)c3cc2[nH]1
InChIInChI=1S/C26H20N2O2/c1-15-7-3-5-9-17(15)23-13-25(29)19-12-22-20(11-21(19)27-23)26(30)14-24(28-22)18-10-6-4-8-16(18)2/h3-14H,1-2H3,(H,27,29)(H,28,30)
InChIKeyWCOOGUMHGXLQHM-UHFFFAOYSA-N
XLogP5.32
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis(2-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione?
The IUPAC name of 2,7-bis(2-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione (CID 139781798) is 2,7-bis(2-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione.
What is the SMILES notation for 2,7-bis(2-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione?
The canonical SMILES for 2,7-bis(2-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione is Cc1ccccc1-c1cc(=O)c2cc3[nH]c(-c4ccccc4C)cc(=O)c3cc2[nH]1.
What is the InChIKey of 2,7-bis(2-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione?
The InChIKey is WCOOGUMHGXLQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c1-15-7-3-5-9-17(15)23-13-25(29)19-12-22-20(11-21(19)27-23)26(30)14-24(28-22)18-10-6-4-8-16(18)2/h3-14H,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 2,7-bis(2-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione?
2,7-bis(2-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione has a molecular weight of 392.46 g/mol, XLogP of 5.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(2-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione is sourced from PubChem (CID 139781798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).