(2S,11R)-1,12-bis(3,4-dihydro-2H-quinolin-1-yl)dodecane-2,11-diol

C30H44N2O2 — CID 92532372

IUPAC(2S,11R)-1,12-bis(3,4-dihydro-2H-quinolin-1-yl)dodecane-2,11-diol
SMILESO[C@H](CCCCCCCC[C@H](O)CN1CCCc2ccccc21)CN1CCCc2ccccc21
InChIInChI=1S/C30H44N2O2/c33-27(23-31-21-11-15-25-13-7-9-19-29(25)31)17-5-3-1-2-4-6-18-28(34)24-32-22-12-16-26-14-8-10-20-30(26)32/h7-10,13-14,19-20,27-28,33-34H,1-6,11-12,15-18,21-24H2/t27-,28+
InChIKeyXOXPFFAFFWPKJZ-HNRBIFIRSA-N
MW464.69 g/mol
LogP5.73
Rot. Bonds13

About (2S,11R)-1,12-bis(3,4-dihydro-2H-quinolin-1-yl)dodecane-2,11-diol

(2S,11R)-1,12-bis(3,4-dihydro-2H-quinolin-1-yl)dodecane-2,11-diol (PubChem CID 92532372) has the molecular formula C30H44N2O2 and a molecular weight of 464.69 g/mol. Its IUPAC name is (2S,11R)-1,12-bis(3,4-dihydro-2H-quinolin-1-yl)dodecane-2,11-diol.

Molecular Properties

Compound Name(2S,11R)-1,12-bis(3,4-dihydro-2H-quinolin-1-yl)dodecane-2,11-diol
PubChem CID92532372
Molecular FormulaC30H44N2O2
Molecular Weight464.69 g/mol
Exact Mass464.34
IUPAC Name(2S,11R)-1,12-bis(3,4-dihydro-2H-quinolin-1-yl)dodecane-2,11-diol
SMILESO[C@H](CCCCCCCC[C@H](O)CN1CCCc2ccccc21)CN1CCCc2ccccc21
InChIInChI=1S/C30H44N2O2/c33-27(23-31-21-11-15-25-13-7-9-19-29(25)31)17-5-3-1-2-4-6-18-28(34)24-32-22-12-16-26-14-8-10-20-30(26)32/h7-10,13-14,19-20,27-28,33-34H,1-6,11-12,15-18,21-24H2/t27-,28+
InChIKeyXOXPFFAFFWPKJZ-HNRBIFIRSA-N
XLogP5.73
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.69
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,11R)-1,12-bis(3,4-dihydro-2H-quinolin-1-yl)dodecane-2,11-diol with MolForge

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Related Compounds

2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropyl]guanidine
CID 3095129
1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylmethoxypropan-2-ol
CID 3804893
5-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 13472126
1-amino-4-(3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 64820971
ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-ethylhexoxy)propan-2-ol
CID 143232672
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991698
1-heptyl-3,4-dihydro-2H-quinoline
CID 154324891
6-(3,4-dihydro-2H-quinolin-1-yl)hexan-1-amine
CID 13472128
8-(3,4-dihydro-2H-quinolin-1-yl)octan-1-amine
CID 13472131
N-(2-n-Decyldimethylsiloxyethyl)-1,2,3,4-tetrahydroquinoline
CID 139239061
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 86912362

Frequently Asked Questions

What is the IUPAC name of (2S,11R)-1,12-bis(3,4-dihydro-2H-quinolin-1-yl)dodecane-2,11-diol?
The IUPAC name of (2S,11R)-1,12-bis(3,4-dihydro-2H-quinolin-1-yl)dodecane-2,11-diol (CID 92532372) is (2S,11R)-1,12-bis(3,4-dihydro-2H-quinolin-1-yl)dodecane-2,11-diol.
What is the SMILES notation for (2S,11R)-1,12-bis(3,4-dihydro-2H-quinolin-1-yl)dodecane-2,11-diol?
The canonical SMILES for (2S,11R)-1,12-bis(3,4-dihydro-2H-quinolin-1-yl)dodecane-2,11-diol is O[C@H](CCCCCCCC[C@H](O)CN1CCCc2ccccc21)CN1CCCc2ccccc21.
What is the InChIKey of (2S,11R)-1,12-bis(3,4-dihydro-2H-quinolin-1-yl)dodecane-2,11-diol?
The InChIKey is XOXPFFAFFWPKJZ-HNRBIFIRSA-N. The full InChI is InChI=1S/C30H44N2O2/c33-27(23-31-21-11-15-25-13-7-9-19-29(25)31)17-5-3-1-2-4-6-18-28(34)24-32-22-12-16-26-14-8-10-20-30(26)32/h7-10,13-14,19-20,27-28,33-34H,1-6,11-12,15-18,21-24H2/t27-,28+.
What are the key properties of (2S,11R)-1,12-bis(3,4-dihydro-2H-quinolin-1-yl)dodecane-2,11-diol?
(2S,11R)-1,12-bis(3,4-dihydro-2H-quinolin-1-yl)dodecane-2,11-diol has a molecular weight of 464.69 g/mol, XLogP of 5.73, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,11R)-1,12-bis(3,4-dihydro-2H-quinolin-1-yl)dodecane-2,11-diol is sourced from PubChem (CID 92532372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).