2,4-dimethyl-12-phenylquinolino[2,3-b]quinoline

C24H18N2 — CID 139231055

IUPAC2,4-dimethyl-12-phenylquinolino[2,3-b]quinoline
SMILESCc1cc(C)c2nc3nc4ccccc4cc3c(-c3ccccc3)c2c1
InChIInChI=1S/C24H18N2/c1-15-12-16(2)23-19(13-15)22(17-8-4-3-5-9-17)20-14-18-10-6-7-11-21(18)25-24(20)26-23/h3-14H,1-2H3
InChIKeyFWNDHWNWFOGZBT-UHFFFAOYSA-N
MW334.42 g/mol
LogP6.22
Rot. Bonds1

About 2,4-dimethyl-12-phenylquinolino[2,3-b]quinoline

2,4-dimethyl-12-phenylquinolino[2,3-b]quinoline (PubChem CID 139231055) has the molecular formula C24H18N2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2,4-dimethyl-12-phenylquinolino[2,3-b]quinoline.

Molecular Properties

Compound Name2,4-dimethyl-12-phenylquinolino[2,3-b]quinoline
PubChem CID139231055
Molecular FormulaC24H18N2
Molecular Weight334.42 g/mol
Exact Mass334.15
IUPAC Name2,4-dimethyl-12-phenylquinolino[2,3-b]quinoline
SMILESCc1cc(C)c2nc3nc4ccccc4cc3c(-c3ccccc3)c2c1
InChIInChI=1S/C24H18N2/c1-15-12-16(2)23-19(13-15)22(17-8-4-3-5-9-17)20-14-18-10-6-7-11-21(18)25-24(20)26-23/h3-14H,1-2H3
InChIKeyFWNDHWNWFOGZBT-UHFFFAOYSA-N
XLogP6.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6,8-dimethyl-2-phenylquinolin-4-amine
CID 62201634
1,1'-biphenyl;1,2-dimethylacridine
CID 175084711
2,4,8-trimethyl-6-phenylphenanthridine
CID 122225138
(6,8-dimethyl-2-phenylquinolin-4-yl)hydrazine
CID 63484238
6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 7048477
1-methylacridine;hydrochloride
CID 175333750
iridium;3-methyl-2-phenylquinoline
CID 174474394
N,3,6,8-tetramethyl-2-phenylquinolin-4-amine
CID 104846969
2,5-dimethyl-12-phenyltetracene
CID 160669382
1-phenylacridin-2-amine
CID 87481080
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
2-(1,3-benzoxazol-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
CID 126751054

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-12-phenylquinolino[2,3-b]quinoline?
The IUPAC name of 2,4-dimethyl-12-phenylquinolino[2,3-b]quinoline (CID 139231055) is 2,4-dimethyl-12-phenylquinolino[2,3-b]quinoline.
What is the SMILES notation for 2,4-dimethyl-12-phenylquinolino[2,3-b]quinoline?
The canonical SMILES for 2,4-dimethyl-12-phenylquinolino[2,3-b]quinoline is Cc1cc(C)c2nc3nc4ccccc4cc3c(-c3ccccc3)c2c1.
What is the InChIKey of 2,4-dimethyl-12-phenylquinolino[2,3-b]quinoline?
The InChIKey is FWNDHWNWFOGZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2/c1-15-12-16(2)23-19(13-15)22(17-8-4-3-5-9-17)20-14-18-10-6-7-11-21(18)25-24(20)26-23/h3-14H,1-2H3.
What are the key properties of 2,4-dimethyl-12-phenylquinolino[2,3-b]quinoline?
2,4-dimethyl-12-phenylquinolino[2,3-b]quinoline has a molecular weight of 334.42 g/mol, XLogP of 6.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-12-phenylquinolino[2,3-b]quinoline is sourced from PubChem (CID 139231055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).