2-(10-quinolin-2-yldecyl)quinoline;hydrate

C28H34N2O — CID 144702573

IUPAC2-(10-quinolin-2-yldecyl)quinoline;hydrate
SMILESO.c1ccc2nc(CCCCCCCCCCc3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C28H32N2.H2O/c1(3-5-7-15-25-21-19-23-13-9-11-17-27(23)29-25)2-4-6-8-16-26-22-20-24-14-10-12-18-28(24)30-26;/h9-14,17-22H,1-8,15-16H2;1H2
InChIKeyFZWCSZIMZDXTLA-UHFFFAOYSA-N
MW414.59 g/mol
LogP6.86
Rot. Bonds11

About 2-(10-quinolin-2-yldecyl)quinoline;hydrate

2-(10-quinolin-2-yldecyl)quinoline;hydrate (PubChem CID 144702573) has the molecular formula C28H34N2O and a molecular weight of 414.59 g/mol. Its IUPAC name is 2-(10-quinolin-2-yldecyl)quinoline;hydrate.

Molecular Properties

Compound Name2-(10-quinolin-2-yldecyl)quinoline;hydrate
PubChem CID144702573
Molecular FormulaC28H34N2O
Molecular Weight414.59 g/mol
Exact Mass414.27
IUPAC Name2-(10-quinolin-2-yldecyl)quinoline;hydrate
SMILESO.c1ccc2nc(CCCCCCCCCCc3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C28H32N2.H2O/c1(3-5-7-15-25-21-19-23-13-9-11-17-27(23)29-25)2-4-6-8-16-26-22-20-24-14-10-12-18-28(24)30-26;/h9-14,17-22H,1-8,15-16H2;1H2
InChIKeyFZWCSZIMZDXTLA-UHFFFAOYSA-N
XLogP6.86
TPSA57.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-quinolin-2-ylnonan-1-ol
CID 19898716
13-quinolin-2-yltridecanal
CID 87258856
3-quinolin-2-ylpropan-1-ol;dihydrochloride
CID 175501927
15-quinolin-2-ylpentadec-1-yn-3-ol
CID 44612487
2-[6-(2,3,5-trichlorophenyl)hexyl]quinoline
CID 158920701
CID 89210421
CID 89210421
O-(2-quinolin-2-ylethyl)hydroxylamine
CID 119091598
2-(2-methoxyethyl)quinoline
CID 129321824
2-(iodomethyl)quinoline
CID 19432604
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294
2-[[4-[4-[1-(quinolin-2-ylmethyl)triazol-4-yl]butyl]triazol-1-yl]methyl]quinoline
CID 102300514
2-[2-(1H-indol-2-yl)ethyl]quinoline
CID 175422278

Frequently Asked Questions

What is the IUPAC name of 2-(10-quinolin-2-yldecyl)quinoline;hydrate?
The IUPAC name of 2-(10-quinolin-2-yldecyl)quinoline;hydrate (CID 144702573) is 2-(10-quinolin-2-yldecyl)quinoline;hydrate.
What is the SMILES notation for 2-(10-quinolin-2-yldecyl)quinoline;hydrate?
The canonical SMILES for 2-(10-quinolin-2-yldecyl)quinoline;hydrate is O.c1ccc2nc(CCCCCCCCCCc3ccc4ccccc4n3)ccc2c1.
What is the InChIKey of 2-(10-quinolin-2-yldecyl)quinoline;hydrate?
The InChIKey is FZWCSZIMZDXTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2.H2O/c1(3-5-7-15-25-21-19-23-13-9-11-17-27(23)29-25)2-4-6-8-16-26-22-20-24-14-10-12-18-28(24)30-26;/h9-14,17-22H,1-8,15-16H2;1H2.
What are the key properties of 2-(10-quinolin-2-yldecyl)quinoline;hydrate?
2-(10-quinolin-2-yldecyl)quinoline;hydrate has a molecular weight of 414.59 g/mol, XLogP of 6.86, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-quinolin-2-yldecyl)quinoline;hydrate is sourced from PubChem (CID 144702573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).