6-[4-(4-amino-2-methylquinolin-6-yl)oxybutoxy]-2-methylquinolin-4-amine;dihydrochloride

C24H28Cl2N4O2 — CID 163277411

IUPAC6-[4-(4-amino-2-methylquinolin-6-yl)oxybutoxy]-2-methylquinolin-4-amine;dihydrochloride
SMILESCc1cc(N)c2cc(OCCCCOc3ccc4nc(C)cc(N)c4c3)ccc2n1.Cl.Cl
InChIInChI=1S/C24H26N4O2.2ClH/c1-15-11-21(25)19-13-17(5-7-23(19)27-15)29-9-3-4-10-30-18-6-8-24-20(14-18)22(26)12-16(2)28-24;;/h5-8,11-14H,3-4,9-10H2,1-2H3,(H2,25,27)(H2,26,28);2*1H
InChIKeyFNXKRXFXANZKMD-UHFFFAOYSA-N
MW475.42 g/mol
LogP5.65
Rot. Bonds7

About 6-[4-(4-amino-2-methylquinolin-6-yl)oxybutoxy]-2-methylquinolin-4-amine;dihydrochloride

6-[4-(4-amino-2-methylquinolin-6-yl)oxybutoxy]-2-methylquinolin-4-amine;dihydrochloride (PubChem CID 163277411) has the molecular formula C24H28Cl2N4O2 and a molecular weight of 475.42 g/mol. Its IUPAC name is 6-[4-(4-amino-2-methylquinolin-6-yl)oxybutoxy]-2-methylquinolin-4-amine;dihydrochloride.

Molecular Properties

Compound Name6-[4-(4-amino-2-methylquinolin-6-yl)oxybutoxy]-2-methylquinolin-4-amine;dihydrochloride
PubChem CID163277411
Molecular FormulaC24H28Cl2N4O2
Molecular Weight475.42 g/mol
Exact Mass474.16
IUPAC Name6-[4-(4-amino-2-methylquinolin-6-yl)oxybutoxy]-2-methylquinolin-4-amine;dihydrochloride
SMILESCc1cc(N)c2cc(OCCCCOc3ccc4nc(C)cc(N)c4c3)ccc2n1.Cl.Cl
InChIInChI=1S/C24H26N4O2.2ClH/c1-15-11-21(25)19-13-17(5-7-23(19)27-15)29-9-3-4-10-30-18-6-8-24-20(14-18)22(26)12-16(2)28-24;;/h5-8,11-14H,3-4,9-10H2,1-2H3,(H2,25,27)(H2,26,28);2*1H
InChIKeyFNXKRXFXANZKMD-UHFFFAOYSA-N
XLogP5.65
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.42
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-amino-2-methylquinolin-6-yl)oxybutoxy]-2-methylquinolin-4-amine;dihydrochloride?
The IUPAC name of 6-[4-(4-amino-2-methylquinolin-6-yl)oxybutoxy]-2-methylquinolin-4-amine;dihydrochloride (CID 163277411) is 6-[4-(4-amino-2-methylquinolin-6-yl)oxybutoxy]-2-methylquinolin-4-amine;dihydrochloride.
What is the SMILES notation for 6-[4-(4-amino-2-methylquinolin-6-yl)oxybutoxy]-2-methylquinolin-4-amine;dihydrochloride?
The canonical SMILES for 6-[4-(4-amino-2-methylquinolin-6-yl)oxybutoxy]-2-methylquinolin-4-amine;dihydrochloride is Cc1cc(N)c2cc(OCCCCOc3ccc4nc(C)cc(N)c4c3)ccc2n1.Cl.Cl.
What is the InChIKey of 6-[4-(4-amino-2-methylquinolin-6-yl)oxybutoxy]-2-methylquinolin-4-amine;dihydrochloride?
The InChIKey is FNXKRXFXANZKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2.2ClH/c1-15-11-21(25)19-13-17(5-7-23(19)27-15)29-9-3-4-10-30-18-6-8-24-20(14-18)22(26)12-16(2)28-24;;/h5-8,11-14H,3-4,9-10H2,1-2H3,(H2,25,27)(H2,26,28);2*1H.
What are the key properties of 6-[4-(4-amino-2-methylquinolin-6-yl)oxybutoxy]-2-methylquinolin-4-amine;dihydrochloride?
6-[4-(4-amino-2-methylquinolin-6-yl)oxybutoxy]-2-methylquinolin-4-amine;dihydrochloride has a molecular weight of 475.42 g/mol, XLogP of 5.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-amino-2-methylquinolin-6-yl)oxybutoxy]-2-methylquinolin-4-amine;dihydrochloride is sourced from PubChem (CID 163277411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).