1,4,8-trimethylquinolino[2,3-b]quinolin-12-amine

C19H17N3 — CID 865238

IUPAC1,4,8-trimethylquinolino[2,3-b]quinolin-12-amine
SMILESCc1ccc2cc3c(N)c4c(C)ccc(C)c4nc3nc2c1
InChIInChI=1S/C19H17N3/c1-10-4-7-13-9-14-17(20)16-11(2)5-6-12(3)18(16)22-19(14)21-15(13)8-10/h4-9H,1-3H3,(H2,20,21,22)
InChIKeyMLCOGORERKDZTI-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.44
Rot. Bonds

About 1,4,8-trimethylquinolino[2,3-b]quinolin-12-amine

1,4,8-trimethylquinolino[2,3-b]quinolin-12-amine (PubChem CID 865238) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is 1,4,8-trimethylquinolino[2,3-b]quinolin-12-amine.

Molecular Properties

Compound Name1,4,8-trimethylquinolino[2,3-b]quinolin-12-amine
PubChem CID865238
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC Name1,4,8-trimethylquinolino[2,3-b]quinolin-12-amine
SMILESCc1ccc2cc3c(N)c4c(C)ccc(C)c4nc3nc2c1
InChIInChI=1S/C19H17N3/c1-10-4-7-13-9-14-17(20)16-11(2)5-6-12(3)18(16)22-19(14)21-15(13)8-10/h4-9H,1-3H3,(H2,20,21,22)
InChIKeyMLCOGORERKDZTI-UHFFFAOYSA-N
XLogP4.44
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.44
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 1,4,8-trimethylquinolino[2,3-b]quinolin-12-amine?
The IUPAC name of 1,4,8-trimethylquinolino[2,3-b]quinolin-12-amine (CID 865238) is 1,4,8-trimethylquinolino[2,3-b]quinolin-12-amine.
What is the SMILES notation for 1,4,8-trimethylquinolino[2,3-b]quinolin-12-amine?
The canonical SMILES for 1,4,8-trimethylquinolino[2,3-b]quinolin-12-amine is Cc1ccc2cc3c(N)c4c(C)ccc(C)c4nc3nc2c1.
What is the InChIKey of 1,4,8-trimethylquinolino[2,3-b]quinolin-12-amine?
The InChIKey is MLCOGORERKDZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3/c1-10-4-7-13-9-14-17(20)16-11(2)5-6-12(3)18(16)22-19(14)21-15(13)8-10/h4-9H,1-3H3,(H2,20,21,22).
What are the key properties of 1,4,8-trimethylquinolino[2,3-b]quinolin-12-amine?
1,4,8-trimethylquinolino[2,3-b]quinolin-12-amine has a molecular weight of 287.37 g/mol, XLogP of 4.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,8-trimethylquinolino[2,3-b]quinolin-12-amine is sourced from PubChem (CID 865238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).