2-methoxy-9-methyl-3-N-(2-morpholin-4-ylethyl)quinolino[3,4-c]quinoline-3,7,10-triamine

C24H28N6O2 — CID 23648179

IUPAC2-methoxy-9-methyl-3-N-(2-morpholin-4-ylethyl)quinolino[3,4-c]quinoline-3,7,10-triamine
SMILESCOc1cc2c(cc1NCCN1CCOCC1)ncc1c(N)nc3c(C)c(N)ccc3c12
InChIInChI=1S/C24H28N6O2/c1-14-18(25)4-3-15-22-16-11-21(31-2)20(27-5-6-30-7-9-32-10-8-30)12-19(16)28-13-17(22)24(26)29-23(14)15/h3-4,11-13,27H,5-10,25H2,1-2H3,(H2,26,29)
InChIKeyJCGJWSWZWHUJDT-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.16
Rot. Bonds5

About 2-methoxy-9-methyl-3-N-(2-morpholin-4-ylethyl)quinolino[3,4-c]quinoline-3,7,10-triamine

2-methoxy-9-methyl-3-N-(2-morpholin-4-ylethyl)quinolino[3,4-c]quinoline-3,7,10-triamine (PubChem CID 23648179) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-methoxy-9-methyl-3-N-(2-morpholin-4-ylethyl)quinolino[3,4-c]quinoline-3,7,10-triamine.

Molecular Properties

Compound Name2-methoxy-9-methyl-3-N-(2-morpholin-4-ylethyl)quinolino[3,4-c]quinoline-3,7,10-triamine
PubChem CID23648179
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name2-methoxy-9-methyl-3-N-(2-morpholin-4-ylethyl)quinolino[3,4-c]quinoline-3,7,10-triamine
SMILESCOc1cc2c(cc1NCCN1CCOCC1)ncc1c(N)nc3c(C)c(N)ccc3c12
InChIInChI=1S/C24H28N6O2/c1-14-18(25)4-3-15-22-16-11-21(31-2)20(27-5-6-30-7-9-32-10-8-30)12-19(16)28-13-17(22)24(26)29-23(14)15/h3-4,11-13,27H,5-10,25H2,1-2H3,(H2,26,29)
InChIKeyJCGJWSWZWHUJDT-UHFFFAOYSA-N
XLogP3.16
TPSA111.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-9-methyl-3-N-(2-morpholin-4-ylethyl)quinolino[3,4-c]quinoline-3,7,10-triamine?
The IUPAC name of 2-methoxy-9-methyl-3-N-(2-morpholin-4-ylethyl)quinolino[3,4-c]quinoline-3,7,10-triamine (CID 23648179) is 2-methoxy-9-methyl-3-N-(2-morpholin-4-ylethyl)quinolino[3,4-c]quinoline-3,7,10-triamine.
What is the SMILES notation for 2-methoxy-9-methyl-3-N-(2-morpholin-4-ylethyl)quinolino[3,4-c]quinoline-3,7,10-triamine?
The canonical SMILES for 2-methoxy-9-methyl-3-N-(2-morpholin-4-ylethyl)quinolino[3,4-c]quinoline-3,7,10-triamine is COc1cc2c(cc1NCCN1CCOCC1)ncc1c(N)nc3c(C)c(N)ccc3c12.
What is the InChIKey of 2-methoxy-9-methyl-3-N-(2-morpholin-4-ylethyl)quinolino[3,4-c]quinoline-3,7,10-triamine?
The InChIKey is JCGJWSWZWHUJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-14-18(25)4-3-15-22-16-11-21(31-2)20(27-5-6-30-7-9-32-10-8-30)12-19(16)28-13-17(22)24(26)29-23(14)15/h3-4,11-13,27H,5-10,25H2,1-2H3,(H2,26,29).
What are the key properties of 2-methoxy-9-methyl-3-N-(2-morpholin-4-ylethyl)quinolino[3,4-c]quinoline-3,7,10-triamine?
2-methoxy-9-methyl-3-N-(2-morpholin-4-ylethyl)quinolino[3,4-c]quinoline-3,7,10-triamine has a molecular weight of 432.53 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-9-methyl-3-N-(2-morpholin-4-ylethyl)quinolino[3,4-c]quinoline-3,7,10-triamine is sourced from PubChem (CID 23648179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).