3,8-dimethyl-2,7-bis(4-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione

C28H24N2O2 — CID 139781792

IUPAC3,8-dimethyl-2,7-bis(4-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
SMILESCc1ccc(-c2[nH]c3cc4c(=O)c(C)c(-c5ccc(C)cc5)[nH]c4cc3c(=O)c2C)cc1
InChIInChI=1S/C28H24N2O2/c1-15-5-9-19(10-6-15)25-17(3)27(31)21-14-24-22(13-23(21)29-25)28(32)18(4)26(30-24)20-11-7-16(2)8-12-20/h5-14H,1-4H3,(H,29,31)(H,30,32)
InChIKeyHBORYPOBQMPCKV-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.94
Rot. Bonds2

About 3,8-dimethyl-2,7-bis(4-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione

3,8-dimethyl-2,7-bis(4-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione (PubChem CID 139781792) has the molecular formula C28H24N2O2 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3,8-dimethyl-2,7-bis(4-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione.

Molecular Properties

Compound Name3,8-dimethyl-2,7-bis(4-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
PubChem CID139781792
Molecular FormulaC28H24N2O2
Molecular Weight420.51 g/mol
Exact Mass420.18
IUPAC Name3,8-dimethyl-2,7-bis(4-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
SMILESCc1ccc(-c2[nH]c3cc4c(=O)c(C)c(-c5ccc(C)cc5)[nH]c4cc3c(=O)c2C)cc1
InChIInChI=1S/C28H24N2O2/c1-15-5-9-19(10-6-15)25-17(3)27(31)21-14-24-22(13-23(21)29-25)28(32)18(4)26(30-24)20-11-7-16(2)8-12-20/h5-14H,1-4H3,(H,29,31)(H,30,32)
InChIKeyHBORYPOBQMPCKV-UHFFFAOYSA-N
XLogP5.94
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.94
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 3,8-dimethyl-2,7-bis(4-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione?
The IUPAC name of 3,8-dimethyl-2,7-bis(4-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione (CID 139781792) is 3,8-dimethyl-2,7-bis(4-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione.
What is the SMILES notation for 3,8-dimethyl-2,7-bis(4-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione?
The canonical SMILES for 3,8-dimethyl-2,7-bis(4-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione is Cc1ccc(-c2[nH]c3cc4c(=O)c(C)c(-c5ccc(C)cc5)[nH]c4cc3c(=O)c2C)cc1.
What is the InChIKey of 3,8-dimethyl-2,7-bis(4-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione?
The InChIKey is HBORYPOBQMPCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O2/c1-15-5-9-19(10-6-15)25-17(3)27(31)21-14-24-22(13-23(21)29-25)28(32)18(4)26(30-24)20-11-7-16(2)8-12-20/h5-14H,1-4H3,(H,29,31)(H,30,32).
What are the key properties of 3,8-dimethyl-2,7-bis(4-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione?
3,8-dimethyl-2,7-bis(4-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione has a molecular weight of 420.51 g/mol, XLogP of 5.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-2,7-bis(4-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione is sourced from PubChem (CID 139781792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).