3,7-dimethylquinolino[2,3-b]quinolin-11-amine

C18H15N3 — CID 865237

IUPAC3,7-dimethylquinolino[2,3-b]quinolin-11-amine
SMILESCc1ccc2cc3c(N)c4cccc(C)c4nc3nc2c1
InChIInChI=1S/C18H15N3/c1-10-6-7-12-9-14-16(19)13-5-3-4-11(2)17(13)21-18(14)20-15(12)8-10/h3-9H,1-2H3,(H2,19,20,21)
InChIKeyXKNAWCMAMJPKCJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.14
Rot. Bonds

About 3,7-dimethylquinolino[2,3-b]quinolin-11-amine

3,7-dimethylquinolino[2,3-b]quinolin-11-amine (PubChem CID 865237) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3,7-dimethylquinolino[2,3-b]quinolin-11-amine.

Molecular Properties

Compound Name3,7-dimethylquinolino[2,3-b]quinolin-11-amine
PubChem CID865237
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name3,7-dimethylquinolino[2,3-b]quinolin-11-amine
SMILESCc1ccc2cc3c(N)c4cccc(C)c4nc3nc2c1
InChIInChI=1S/C18H15N3/c1-10-6-7-12-9-14-16(19)13-5-3-4-11(2)17(13)21-18(14)20-15(12)8-10/h3-9H,1-2H3,(H2,19,20,21)
InChIKeyXKNAWCMAMJPKCJ-UHFFFAOYSA-N
XLogP4.14
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(1)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylquinolino[2,3-b]quinolin-11-amine?
The IUPAC name of 3,7-dimethylquinolino[2,3-b]quinolin-11-amine (CID 865237) is 3,7-dimethylquinolino[2,3-b]quinolin-11-amine.
What is the SMILES notation for 3,7-dimethylquinolino[2,3-b]quinolin-11-amine?
The canonical SMILES for 3,7-dimethylquinolino[2,3-b]quinolin-11-amine is Cc1ccc2cc3c(N)c4cccc(C)c4nc3nc2c1.
What is the InChIKey of 3,7-dimethylquinolino[2,3-b]quinolin-11-amine?
The InChIKey is XKNAWCMAMJPKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c1-10-6-7-12-9-14-16(19)13-5-3-4-11(2)17(13)21-18(14)20-15(12)8-10/h3-9H,1-2H3,(H2,19,20,21).
What are the key properties of 3,7-dimethylquinolino[2,3-b]quinolin-11-amine?
3,7-dimethylquinolino[2,3-b]quinolin-11-amine has a molecular weight of 273.34 g/mol, XLogP of 4.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethylquinolino[2,3-b]quinolin-11-amine is sourced from PubChem (CID 865237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).