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

C25H30N6O2 — CID 23648180

IUPAC2-methoxy-9-methyl-3-N-(3-morpholin-4-ylpropyl)quinolino[3,4-c]quinoline-3,7,10-triamine
SMILESCOc1cc2c(cc1NCCCN1CCOCC1)ncc1c(N)nc3c(C)c(N)ccc3c12
InChIInChI=1S/C25H30N6O2/c1-15-19(26)5-4-16-23-17-12-22(32-2)21(28-6-3-7-31-8-10-33-11-9-31)13-20(17)29-14-18(23)25(27)30-24(15)16/h4-5,12-14,28H,3,6-11,26H2,1-2H3,(H2,27,30)
InChIKeyPICVLQXQBLBFNU-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.55
Rot. Bonds6

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

2-methoxy-9-methyl-3-N-(3-morpholin-4-ylpropyl)quinolino[3,4-c]quinoline-3,7,10-triamine (PubChem CID 23648180) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 2-methoxy-9-methyl-3-N-(3-morpholin-4-ylpropyl)quinolino[3,4-c]quinoline-3,7,10-triamine.

Molecular Properties

Compound Name2-methoxy-9-methyl-3-N-(3-morpholin-4-ylpropyl)quinolino[3,4-c]quinoline-3,7,10-triamine
PubChem CID23648180
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name2-methoxy-9-methyl-3-N-(3-morpholin-4-ylpropyl)quinolino[3,4-c]quinoline-3,7,10-triamine
SMILESCOc1cc2c(cc1NCCCN1CCOCC1)ncc1c(N)nc3c(C)c(N)ccc3c12
InChIInChI=1S/C25H30N6O2/c1-15-19(26)5-4-16-23-17-12-22(32-2)21(28-6-3-7-31-8-10-33-11-9-31)13-20(17)29-14-18(23)25(27)30-24(15)16/h4-5,12-14,28H,3,6-11,26H2,1-2H3,(H2,27,30)
InChIKeyPICVLQXQBLBFNU-UHFFFAOYSA-N
XLogP3.55
TPSA111.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-morpholin-4-ylpropyl)quinolino[3,4-c]quinoline-3,7,10-triamine?
The IUPAC name of 2-methoxy-9-methyl-3-N-(3-morpholin-4-ylpropyl)quinolino[3,4-c]quinoline-3,7,10-triamine (CID 23648180) is 2-methoxy-9-methyl-3-N-(3-morpholin-4-ylpropyl)quinolino[3,4-c]quinoline-3,7,10-triamine.
What is the SMILES notation for 2-methoxy-9-methyl-3-N-(3-morpholin-4-ylpropyl)quinolino[3,4-c]quinoline-3,7,10-triamine?
The canonical SMILES for 2-methoxy-9-methyl-3-N-(3-morpholin-4-ylpropyl)quinolino[3,4-c]quinoline-3,7,10-triamine is COc1cc2c(cc1NCCCN1CCOCC1)ncc1c(N)nc3c(C)c(N)ccc3c12.
What is the InChIKey of 2-methoxy-9-methyl-3-N-(3-morpholin-4-ylpropyl)quinolino[3,4-c]quinoline-3,7,10-triamine?
The InChIKey is PICVLQXQBLBFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-15-19(26)5-4-16-23-17-12-22(32-2)21(28-6-3-7-31-8-10-33-11-9-31)13-20(17)29-14-18(23)25(27)30-24(15)16/h4-5,12-14,28H,3,6-11,26H2,1-2H3,(H2,27,30).
What are the key properties of 2-methoxy-9-methyl-3-N-(3-morpholin-4-ylpropyl)quinolino[3,4-c]quinoline-3,7,10-triamine?
2-methoxy-9-methyl-3-N-(3-morpholin-4-ylpropyl)quinolino[3,4-c]quinoline-3,7,10-triamine has a molecular weight of 446.56 g/mol, XLogP of 3.55, 6 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-(3-morpholin-4-ylpropyl)quinolino[3,4-c]quinoline-3,7,10-triamine is sourced from PubChem (CID 23648180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).