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

C30H24N2O4 — CID 139781794

IUPAC2,7-bis(2-propanoylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
SMILESCCC(=O)c1ccccc1-c1cc(=O)c2cc3[nH]c(-c4ccccc4C(=O)CC)cc(=O)c3cc2[nH]1
InChIInChI=1S/C30H24N2O4/c1-3-27(33)19-11-7-5-9-17(19)25-15-29(35)21-14-24-22(13-23(21)31-25)30(36)16-26(32-24)18-10-6-8-12-20(18)28(34)4-2/h5-16H,3-4H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyQWKOREBLFQZTFE-UHFFFAOYSA-N
MW476.53 g/mol
LogP5.89
Rot. Bonds6

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

2,7-bis(2-propanoylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione (PubChem CID 139781794) has the molecular formula C30H24N2O4 and a molecular weight of 476.53 g/mol. Its IUPAC name is 2,7-bis(2-propanoylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione.

Molecular Properties

Compound Name2,7-bis(2-propanoylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
PubChem CID139781794
Molecular FormulaC30H24N2O4
Molecular Weight476.53 g/mol
Exact Mass476.17
IUPAC Name2,7-bis(2-propanoylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
SMILESCCC(=O)c1ccccc1-c1cc(=O)c2cc3[nH]c(-c4ccccc4C(=O)CC)cc(=O)c3cc2[nH]1
InChIInChI=1S/C30H24N2O4/c1-3-27(33)19-11-7-5-9-17(19)25-15-29(35)21-14-24-22(13-23(21)31-25)30(36)16-26(32-24)18-10-6-8-12-20(18)28(34)4-2/h5-16H,3-4H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyQWKOREBLFQZTFE-UHFFFAOYSA-N
XLogP5.89
TPSA99.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-propanoylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione?
The IUPAC name of 2,7-bis(2-propanoylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione (CID 139781794) is 2,7-bis(2-propanoylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione.
What is the SMILES notation for 2,7-bis(2-propanoylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione?
The canonical SMILES for 2,7-bis(2-propanoylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione is CCC(=O)c1ccccc1-c1cc(=O)c2cc3[nH]c(-c4ccccc4C(=O)CC)cc(=O)c3cc2[nH]1.
What is the InChIKey of 2,7-bis(2-propanoylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione?
The InChIKey is QWKOREBLFQZTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O4/c1-3-27(33)19-11-7-5-9-17(19)25-15-29(35)21-14-24-22(13-23(21)31-25)30(36)16-26(32-24)18-10-6-8-12-20(18)28(34)4-2/h5-16H,3-4H2,1-2H3,(H,31,35)(H,32,36).
What are the key properties of 2,7-bis(2-propanoylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione?
2,7-bis(2-propanoylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione has a molecular weight of 476.53 g/mol, XLogP of 5.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(2-propanoylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione is sourced from PubChem (CID 139781794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).