2,5,9-trimethyl-11-phenylquinolino[2,3-b]quinolin-12-one

C25H20N2O — CID 72696883

IUPAC2,5,9-trimethyl-11-phenylquinolino[2,3-b]quinolin-12-one
SMILESCc1ccc2nc3c(c(-c4ccccc4)c2c1)c(=O)c1cc(C)ccc1n3C
InChIInChI=1S/C25H20N2O/c1-15-9-11-20-18(13-15)22(17-7-5-4-6-8-17)23-24(28)19-14-16(2)10-12-21(19)27(3)25(23)26-20/h4-14H,1-3H3
InChIKeyUERGATSECNRZIQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.52
Rot. Bonds1

About 2,5,9-trimethyl-11-phenylquinolino[2,3-b]quinolin-12-one

2,5,9-trimethyl-11-phenylquinolino[2,3-b]quinolin-12-one (PubChem CID 72696883) has the molecular formula C25H20N2O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2,5,9-trimethyl-11-phenylquinolino[2,3-b]quinolin-12-one.

Molecular Properties

Compound Name2,5,9-trimethyl-11-phenylquinolino[2,3-b]quinolin-12-one
PubChem CID72696883
Molecular FormulaC25H20N2O
Molecular Weight364.45 g/mol
Exact Mass364.16
IUPAC Name2,5,9-trimethyl-11-phenylquinolino[2,3-b]quinolin-12-one
SMILESCc1ccc2nc3c(c(-c4ccccc4)c2c1)c(=O)c1cc(C)ccc1n3C
InChIInChI=1S/C25H20N2O/c1-15-9-11-20-18(13-15)22(17-7-5-4-6-8-17)23-24(28)19-14-16(2)10-12-21(19)27(3)25(23)26-20/h4-14H,1-3H3
InChIKeyUERGATSECNRZIQ-UHFFFAOYSA-N
XLogP5.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dimethyl-1,2,3,4-tetrahydropyrimido[4,5-b]quinoline-2,4-dione
CID 2785858
N-benzyl-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
CID 11222968
[3-Methyl-2-(4-methyl-piperazin-1-yl)-quinolin-4-yl]-phenyl-methanone
CID 11290923
3-Ethyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid diethylamide
CID 11394108
2-(4-Methyl-piperazin-1-yl)-quinoline-4-carboxylic acid dipropylamide
CID 11485023
2-(4-Methyl-piperazin-1-yl)-quinoline-4-carboxylic acid benzyl-methyl-amide
CID 11485632
3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid diethylamide
CID 11739328
2-(Dimethylamino)-7-methyl-3-quinolinecarbaldehyde
CID 802463
12-anilino-6H-quinolino[2,3-b]quinolin-11-one
CID 44537024
(2-Methyl-4-phenyl-3-quinolinyl)(phenyl)methanone
CID 1215171
7-Methyl-2-naphthalen-1-yl-1H-[1,8]naphthyridin-4-one
CID 5468780
5,7-Dimethyl-2-naphthalen-1-yl-1H-[1,8]naphthyridin-4-one
CID 5468781

Frequently Asked Questions

What is the IUPAC name of 2,5,9-trimethyl-11-phenylquinolino[2,3-b]quinolin-12-one?
The IUPAC name of 2,5,9-trimethyl-11-phenylquinolino[2,3-b]quinolin-12-one (CID 72696883) is 2,5,9-trimethyl-11-phenylquinolino[2,3-b]quinolin-12-one.
What is the SMILES notation for 2,5,9-trimethyl-11-phenylquinolino[2,3-b]quinolin-12-one?
The canonical SMILES for 2,5,9-trimethyl-11-phenylquinolino[2,3-b]quinolin-12-one is Cc1ccc2nc3c(c(-c4ccccc4)c2c1)c(=O)c1cc(C)ccc1n3C.
What is the InChIKey of 2,5,9-trimethyl-11-phenylquinolino[2,3-b]quinolin-12-one?
The InChIKey is UERGATSECNRZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O/c1-15-9-11-20-18(13-15)22(17-7-5-4-6-8-17)23-24(28)19-14-16(2)10-12-21(19)27(3)25(23)26-20/h4-14H,1-3H3.
What are the key properties of 2,5,9-trimethyl-11-phenylquinolino[2,3-b]quinolin-12-one?
2,5,9-trimethyl-11-phenylquinolino[2,3-b]quinolin-12-one has a molecular weight of 364.45 g/mol, XLogP of 5.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,9-trimethyl-11-phenylquinolino[2,3-b]quinolin-12-one is sourced from PubChem (CID 72696883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).