2-methyl-8-[10-(2-methylquinolin-8-yl)oxydecoxy]quinoline

C30H36N2O2 — CID 4143953

IUPAC2-methyl-8-[10-(2-methylquinolin-8-yl)oxydecoxy]quinoline
SMILESCc1ccc2cccc(OCCCCCCCCCCOc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C30H36N2O2/c1-23-17-19-25-13-11-15-27(29(25)31-23)33-21-9-7-5-3-4-6-8-10-22-34-28-16-12-14-26-20-18-24(2)32-30(26)28/h11-20H,3-10,21-22H2,1-2H3
InChIKeyNBNNSTUGFAMPDF-UHFFFAOYSA-N
MW456.63 g/mol
LogP7.98
Rot. Bonds13

About 2-methyl-8-[10-(2-methylquinolin-8-yl)oxydecoxy]quinoline

2-methyl-8-[10-(2-methylquinolin-8-yl)oxydecoxy]quinoline (PubChem CID 4143953) has the molecular formula C30H36N2O2 and a molecular weight of 456.63 g/mol. Its IUPAC name is 2-methyl-8-[10-(2-methylquinolin-8-yl)oxydecoxy]quinoline.

Molecular Properties

Compound Name2-methyl-8-[10-(2-methylquinolin-8-yl)oxydecoxy]quinoline
PubChem CID4143953
Molecular FormulaC30H36N2O2
Molecular Weight456.63 g/mol
Exact Mass456.28
IUPAC Name2-methyl-8-[10-(2-methylquinolin-8-yl)oxydecoxy]quinoline
SMILESCc1ccc2cccc(OCCCCCCCCCCOc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C30H36N2O2/c1-23-17-19-25-13-11-15-27(29(25)31-23)33-21-9-7-5-3-4-6-8-10-22-34-28-16-12-14-26-20-18-24(2)32-30(26)28/h11-20H,3-10,21-22H2,1-2H3
InChIKeyNBNNSTUGFAMPDF-UHFFFAOYSA-N
XLogP7.98
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-methyl-8-[10-(2-methylquinolin-8-yl)oxydecoxy]quinoline?
The IUPAC name of 2-methyl-8-[10-(2-methylquinolin-8-yl)oxydecoxy]quinoline (CID 4143953) is 2-methyl-8-[10-(2-methylquinolin-8-yl)oxydecoxy]quinoline.
What is the SMILES notation for 2-methyl-8-[10-(2-methylquinolin-8-yl)oxydecoxy]quinoline?
The canonical SMILES for 2-methyl-8-[10-(2-methylquinolin-8-yl)oxydecoxy]quinoline is Cc1ccc2cccc(OCCCCCCCCCCOc3cccc4ccc(C)nc34)c2n1.
What is the InChIKey of 2-methyl-8-[10-(2-methylquinolin-8-yl)oxydecoxy]quinoline?
The InChIKey is NBNNSTUGFAMPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O2/c1-23-17-19-25-13-11-15-27(29(25)31-23)33-21-9-7-5-3-4-6-8-10-22-34-28-16-12-14-26-20-18-24(2)32-30(26)28/h11-20H,3-10,21-22H2,1-2H3.
What are the key properties of 2-methyl-8-[10-(2-methylquinolin-8-yl)oxydecoxy]quinoline?
2-methyl-8-[10-(2-methylquinolin-8-yl)oxydecoxy]quinoline has a molecular weight of 456.63 g/mol, XLogP of 7.98, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[10-(2-methylquinolin-8-yl)oxydecoxy]quinoline is sourced from PubChem (CID 4143953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).