1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxypentan-2-ol

C22H26N2O2 — CID 170244403

IUPAC1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxypentan-2-ol
SMILESCCCC(O)COc1ccc2nc(-c3ccc(N(C)C)cc3)ccc2c1
InChIInChI=1S/C22H26N2O2/c1-4-5-19(25)15-26-20-11-13-22-17(14-20)8-12-21(23-22)16-6-9-18(10-7-16)24(2)3/h6-14,19,25H,4-5,15H2,1-3H3
InChIKeyUJTNTRWFACEQHM-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.51
Rot. Bonds7

About 1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxypentan-2-ol

1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxypentan-2-ol (PubChem CID 170244403) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxypentan-2-ol.

Molecular Properties

Compound Name1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxypentan-2-ol
PubChem CID170244403
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxypentan-2-ol
SMILESCCCC(O)COc1ccc2nc(-c3ccc(N(C)C)cc3)ccc2c1
InChIInChI=1S/C22H26N2O2/c1-4-5-19(25)15-26-20-11-13-22-17(14-20)8-12-21(23-22)16-6-9-18(10-7-16)24(2)3/h6-14,19,25H,4-5,15H2,1-3H3
InChIKeyUJTNTRWFACEQHM-UHFFFAOYSA-N
XLogP4.51
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxypentan-2-ol?
The IUPAC name of 1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxypentan-2-ol (CID 170244403) is 1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxypentan-2-ol.
What is the SMILES notation for 1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxypentan-2-ol?
The canonical SMILES for 1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxypentan-2-ol is CCCC(O)COc1ccc2nc(-c3ccc(N(C)C)cc3)ccc2c1.
What is the InChIKey of 1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxypentan-2-ol?
The InChIKey is UJTNTRWFACEQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-4-5-19(25)15-26-20-11-13-22-17(14-20)8-12-21(23-22)16-6-9-18(10-7-16)24(2)3/h6-14,19,25H,4-5,15H2,1-3H3.
What are the key properties of 1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxypentan-2-ol?
1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxypentan-2-ol has a molecular weight of 350.46 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxypentan-2-ol is sourced from PubChem (CID 170244403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).