3-N-[3-(dimethylamino)propyl]-2-methoxy-9-methylquinolino[3,4-c]quinoline-3,7,10-triamine

C23H28N6O — CID 23648181

IUPAC3-N-[3-(dimethylamino)propyl]-2-methoxy-9-methylquinolino[3,4-c]quinoline-3,7,10-triamine
SMILESCOc1cc2c(cc1NCCCN(C)C)ncc1c(N)nc3c(C)c(N)ccc3c12
InChIInChI=1S/C23H28N6O/c1-13-17(24)7-6-14-21-15-10-20(30-4)19(26-8-5-9-29(2)3)11-18(15)27-12-16(21)23(25)28-22(13)14/h6-7,10-12,26H,5,8-9,24H2,1-4H3,(H2,25,28)
InChIKeyPVFHCQGAYHDIOF-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.78
Rot. Bonds6

About 3-N-[3-(dimethylamino)propyl]-2-methoxy-9-methylquinolino[3,4-c]quinoline-3,7,10-triamine

3-N-[3-(dimethylamino)propyl]-2-methoxy-9-methylquinolino[3,4-c]quinoline-3,7,10-triamine (PubChem CID 23648181) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 3-N-[3-(dimethylamino)propyl]-2-methoxy-9-methylquinolino[3,4-c]quinoline-3,7,10-triamine.

Molecular Properties

Compound Name3-N-[3-(dimethylamino)propyl]-2-methoxy-9-methylquinolino[3,4-c]quinoline-3,7,10-triamine
PubChem CID23648181
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name3-N-[3-(dimethylamino)propyl]-2-methoxy-9-methylquinolino[3,4-c]quinoline-3,7,10-triamine
SMILESCOc1cc2c(cc1NCCCN(C)C)ncc1c(N)nc3c(C)c(N)ccc3c12
InChIInChI=1S/C23H28N6O/c1-13-17(24)7-6-14-21-15-10-20(30-4)19(26-8-5-9-29(2)3)11-18(15)27-12-16(21)23(25)28-22(13)14/h6-7,10-12,26H,5,8-9,24H2,1-4H3,(H2,25,28)
InChIKeyPVFHCQGAYHDIOF-UHFFFAOYSA-N
XLogP3.78
TPSA102.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 3-N-[3-(dimethylamino)propyl]-2-methoxy-9-methylquinolino[3,4-c]quinoline-3,7,10-triamine?
The IUPAC name of 3-N-[3-(dimethylamino)propyl]-2-methoxy-9-methylquinolino[3,4-c]quinoline-3,7,10-triamine (CID 23648181) is 3-N-[3-(dimethylamino)propyl]-2-methoxy-9-methylquinolino[3,4-c]quinoline-3,7,10-triamine.
What is the SMILES notation for 3-N-[3-(dimethylamino)propyl]-2-methoxy-9-methylquinolino[3,4-c]quinoline-3,7,10-triamine?
The canonical SMILES for 3-N-[3-(dimethylamino)propyl]-2-methoxy-9-methylquinolino[3,4-c]quinoline-3,7,10-triamine is COc1cc2c(cc1NCCCN(C)C)ncc1c(N)nc3c(C)c(N)ccc3c12.
What is the InChIKey of 3-N-[3-(dimethylamino)propyl]-2-methoxy-9-methylquinolino[3,4-c]quinoline-3,7,10-triamine?
The InChIKey is PVFHCQGAYHDIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-13-17(24)7-6-14-21-15-10-20(30-4)19(26-8-5-9-29(2)3)11-18(15)27-12-16(21)23(25)28-22(13)14/h6-7,10-12,26H,5,8-9,24H2,1-4H3,(H2,25,28).
What are the key properties of 3-N-[3-(dimethylamino)propyl]-2-methoxy-9-methylquinolino[3,4-c]quinoline-3,7,10-triamine?
3-N-[3-(dimethylamino)propyl]-2-methoxy-9-methylquinolino[3,4-c]quinoline-3,7,10-triamine has a molecular weight of 404.52 g/mol, XLogP of 3.78, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(dimethylamino)propyl]-2-methoxy-9-methylquinolino[3,4-c]quinoline-3,7,10-triamine is sourced from PubChem (CID 23648181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).