4-(dibutylamino)-1-(6-methoxy-2-phenylquinolin-4-yl)butan-1-ol;dihydrochloride

C28H40Cl2N2O2 — CID 21146200

IUPAC4-(dibutylamino)-1-(6-methoxy-2-phenylquinolin-4-yl)butan-1-ol;dihydrochloride
SMILESCCCCN(CCCC)CCCC(O)c1cc(-c2ccccc2)nc2ccc(OC)cc12.Cl.Cl
InChIInChI=1S/C28H38N2O2.2ClH/c1-4-6-17-30(18-7-5-2)19-11-14-28(31)25-21-27(22-12-9-8-10-13-22)29-26-16-15-23(32-3)20-24(25)26;;/h8-10,12-13,15-16,20-21,28,31H,4-7,11,14,17-19H2,1-3H3;2*1H
InChIKeySUGXIMPICYVSRX-UHFFFAOYSA-N
MW507.55 g/mol
LogP7.47
Rot. Bonds13

About 4-(dibutylamino)-1-(6-methoxy-2-phenylquinolin-4-yl)butan-1-ol;dihydrochloride

4-(dibutylamino)-1-(6-methoxy-2-phenylquinolin-4-yl)butan-1-ol;dihydrochloride (PubChem CID 21146200) has the molecular formula C28H40Cl2N2O2 and a molecular weight of 507.55 g/mol. Its IUPAC name is 4-(dibutylamino)-1-(6-methoxy-2-phenylquinolin-4-yl)butan-1-ol;dihydrochloride.

Molecular Properties

Compound Name4-(dibutylamino)-1-(6-methoxy-2-phenylquinolin-4-yl)butan-1-ol;dihydrochloride
PubChem CID21146200
Molecular FormulaC28H40Cl2N2O2
Molecular Weight507.55 g/mol
Exact Mass506.25
IUPAC Name4-(dibutylamino)-1-(6-methoxy-2-phenylquinolin-4-yl)butan-1-ol;dihydrochloride
SMILESCCCCN(CCCC)CCCC(O)c1cc(-c2ccccc2)nc2ccc(OC)cc12.Cl.Cl
InChIInChI=1S/C28H38N2O2.2ClH/c1-4-6-17-30(18-7-5-2)19-11-14-28(31)25-21-27(22-12-9-8-10-13-22)29-26-16-15-23(32-3)20-24(25)26;;/h8-10,12-13,15-16,20-21,28,31H,4-7,11,14,17-19H2,1-3H3;2*1H
InChIKeySUGXIMPICYVSRX-UHFFFAOYSA-N
XLogP7.47
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.55
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(dibutylamino)-1-(6-methoxy-2-phenylquinolin-4-yl)butan-1-ol;dihydrochloride with MolForge

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Related Compounds

6-amino-1-[2-(4-methoxyphenyl)quinolin-4-yl]hexan-1-ol
CID 123317824
1-N,1-N-diethyl-4-N-(6-methoxy-2-phenylquinolin-4-yl)pentane-1,4-diamine;phosphoric acid
CID 22210394
1-[2-(3,4-dichlorophenyl)-6-methoxyquinolin-4-yl]-2-(diethylamino)ethanol
CID 90669087
2-(dipropylamino)-1-(2-phenylquinolin-4-yl)ethanol;hydrochloride
CID 90669588
1-[6-chloro-7-methoxy-2-(4-methoxyphenyl)quinolin-4-yl]-2-(dihexylamino)ethanol
CID 90669178
(1R)-1-[7-chloro-2-(4-methoxyphenyl)quinolin-4-yl]-2-(dioctylamino)ethanol
CID 98128320
2-(dipropylamino)-1-(2-phenylquinolin-4-yl)ethanol
CID 90669589
1-(2-chloro-6-methoxyquinolin-3-yl)pentan-1-ol
CID 132776082
2-amino-3-(6-methoxy-2-phenylquinolin-4-yl)sulfanylpropanoic acid
CID 53334919
(2R)-2-amino-3-(6-methoxy-2-phenylquinolin-4-yl)sulfanylpropanoic acid
CID 95185798
(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-phenylquinolin-4-yl)methanol
CID 141389815
N-tert-butyl-6-methoxy-2-phenylquinolin-4-amine
CID 166442199

Frequently Asked Questions

What is the IUPAC name of 4-(dibutylamino)-1-(6-methoxy-2-phenylquinolin-4-yl)butan-1-ol;dihydrochloride?
The IUPAC name of 4-(dibutylamino)-1-(6-methoxy-2-phenylquinolin-4-yl)butan-1-ol;dihydrochloride (CID 21146200) is 4-(dibutylamino)-1-(6-methoxy-2-phenylquinolin-4-yl)butan-1-ol;dihydrochloride.
What is the SMILES notation for 4-(dibutylamino)-1-(6-methoxy-2-phenylquinolin-4-yl)butan-1-ol;dihydrochloride?
The canonical SMILES for 4-(dibutylamino)-1-(6-methoxy-2-phenylquinolin-4-yl)butan-1-ol;dihydrochloride is CCCCN(CCCC)CCCC(O)c1cc(-c2ccccc2)nc2ccc(OC)cc12.Cl.Cl.
What is the InChIKey of 4-(dibutylamino)-1-(6-methoxy-2-phenylquinolin-4-yl)butan-1-ol;dihydrochloride?
The InChIKey is SUGXIMPICYVSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O2.2ClH/c1-4-6-17-30(18-7-5-2)19-11-14-28(31)25-21-27(22-12-9-8-10-13-22)29-26-16-15-23(32-3)20-24(25)26;;/h8-10,12-13,15-16,20-21,28,31H,4-7,11,14,17-19H2,1-3H3;2*1H.
What are the key properties of 4-(dibutylamino)-1-(6-methoxy-2-phenylquinolin-4-yl)butan-1-ol;dihydrochloride?
4-(dibutylamino)-1-(6-methoxy-2-phenylquinolin-4-yl)butan-1-ol;dihydrochloride has a molecular weight of 507.55 g/mol, XLogP of 7.47, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibutylamino)-1-(6-methoxy-2-phenylquinolin-4-yl)butan-1-ol;dihydrochloride is sourced from PubChem (CID 21146200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).