ethane;bis(2-methylquinolin-8-ol);propane;hydrate

C30H48N2O3 — CID 143591758

IUPACethane;bis(2-methylquinolin-8-ol);propane;hydrate
SMILESCC.CC.CCC.CCC.Cc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1.O
InChIInChI=1S/2C10H9NO.2C3H8.2C2H6.H2O/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;2*1-3-2;2*1-2;/h2*2-6,12H,1H3;2*3H2,1-2H3;2*1-2H3;1H2
InChIKeyAHDNTZOHFQNLSZ-UHFFFAOYSA-N
MW484.73 g/mol
LogP8.56
Rot. Bonds

About ethane;bis(2-methylquinolin-8-ol);propane;hydrate

ethane;bis(2-methylquinolin-8-ol);propane;hydrate (PubChem CID 143591758) has the molecular formula C30H48N2O3 and a molecular weight of 484.73 g/mol. Its IUPAC name is ethane;bis(2-methylquinolin-8-ol);propane;hydrate.

Molecular Properties

Compound Nameethane;bis(2-methylquinolin-8-ol);propane;hydrate
PubChem CID143591758
Molecular FormulaC30H48N2O3
Molecular Weight484.73 g/mol
Exact Mass484.37
IUPAC Nameethane;bis(2-methylquinolin-8-ol);propane;hydrate
SMILESCC.CC.CCC.CCC.Cc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1.O
InChIInChI=1S/2C10H9NO.2C3H8.2C2H6.H2O/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;2*1-3-2;2*1-2;/h2*2-6,12H,1H3;2*3H2,1-2H3;2*1-2H3;1H2
InChIKeyAHDNTZOHFQNLSZ-UHFFFAOYSA-N
XLogP8.56
TPSA97.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.73
LogP ≤ 58.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;bis(2-methylquinolin-8-ol);propane;hydrate?
The IUPAC name of ethane;bis(2-methylquinolin-8-ol);propane;hydrate (CID 143591758) is ethane;bis(2-methylquinolin-8-ol);propane;hydrate.
What is the SMILES notation for ethane;bis(2-methylquinolin-8-ol);propane;hydrate?
The canonical SMILES for ethane;bis(2-methylquinolin-8-ol);propane;hydrate is CC.CC.CCC.CCC.Cc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1.O.
What is the InChIKey of ethane;bis(2-methylquinolin-8-ol);propane;hydrate?
The InChIKey is AHDNTZOHFQNLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9NO.2C3H8.2C2H6.H2O/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;2*1-3-2;2*1-2;/h2*2-6,12H,1H3;2*3H2,1-2H3;2*1-2H3;1H2.
What are the key properties of ethane;bis(2-methylquinolin-8-ol);propane;hydrate?
ethane;bis(2-methylquinolin-8-ol);propane;hydrate has a molecular weight of 484.73 g/mol, XLogP of 8.56, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(2-methylquinolin-8-ol);propane;hydrate is sourced from PubChem (CID 143591758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).