1-[2-[4-[ethyl(methyl)amino]phenyl]quinolin-7-yl]oxybutan-2-ol

C22H26N2O2 — CID 118655110

IUPAC1-[2-[4-[ethyl(methyl)amino]phenyl]quinolin-7-yl]oxybutan-2-ol
SMILESCCC(O)COc1ccc2ccc(-c3ccc(N(C)CC)cc3)nc2c1
InChIInChI=1S/C22H26N2O2/c1-4-19(25)15-26-20-12-8-17-9-13-21(23-22(17)14-20)16-6-10-18(11-7-16)24(3)5-2/h6-14,19,25H,4-5,15H2,1-3H3
InChIKeyHULKMHLHZCZJGC-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.51
Rot. Bonds7

About 1-[2-[4-[ethyl(methyl)amino]phenyl]quinolin-7-yl]oxybutan-2-ol

1-[2-[4-[ethyl(methyl)amino]phenyl]quinolin-7-yl]oxybutan-2-ol (PubChem CID 118655110) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-[2-[4-[ethyl(methyl)amino]phenyl]quinolin-7-yl]oxybutan-2-ol.

Molecular Properties

Compound Name1-[2-[4-[ethyl(methyl)amino]phenyl]quinolin-7-yl]oxybutan-2-ol
PubChem CID118655110
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-[2-[4-[ethyl(methyl)amino]phenyl]quinolin-7-yl]oxybutan-2-ol
SMILESCCC(O)COc1ccc2ccc(-c3ccc(N(C)CC)cc3)nc2c1
InChIInChI=1S/C22H26N2O2/c1-4-19(25)15-26-20-12-8-17-9-13-21(23-22(17)14-20)16-6-10-18(11-7-16)24(3)5-2/h6-14,19,25H,4-5,15H2,1-3H3
InChIKeyHULKMHLHZCZJGC-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

Analyze 1-[2-[4-[ethyl(methyl)amino]phenyl]quinolin-7-yl]oxybutan-2-ol with MolForge

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Related Compounds

1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxypentan-2-ol
CID 170244403
4-(6-ethoxyquinolin-2-yl)-N,N-dimethylaniline
CID 125465220
2-(6-amino-3-pyridinyl)-N-ethyl-N-methylquinolin-7-amine
CID 118655119
amino-[5-[6-[(2R)-2-hydroxybutoxy]quinolin-2-yl]-2-pyridinyl]cyanamide
CID 146365210
3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropane-1,2-diol
CID 118642420
N,N-diethyl-2-(2-phenylquinolin-7-yl)oxyethanamine
CID 154372459
1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-3-(18F)fluoropropan-2-ol;1-(18F)fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol;1-(18F)fluoro-3-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxypropan-2-ol
CID 158020962
(2R)-1-[[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]oxy]-3-fluoropropan-2-ol
CID 122413452
(2S)-1-[[2-[4-(methylamino)phenyl]-1,3-benzoxazol-5-yl]oxy]butan-2-ol
CID 129018172
1-[6-[2-(dimethylamino)propoxy]acridin-3-yl]oxy-N,N-dimethylpropan-2-amine;iron
CID 88751664
(2R)-3-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-2-nitrosopropan-1-ol
CID 122518377
1-[(2-methyl-1,3-benzothiazol-6-yl)oxy]butan-2-ol
CID 90124996

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[ethyl(methyl)amino]phenyl]quinolin-7-yl]oxybutan-2-ol?
The IUPAC name of 1-[2-[4-[ethyl(methyl)amino]phenyl]quinolin-7-yl]oxybutan-2-ol (CID 118655110) is 1-[2-[4-[ethyl(methyl)amino]phenyl]quinolin-7-yl]oxybutan-2-ol.
What is the SMILES notation for 1-[2-[4-[ethyl(methyl)amino]phenyl]quinolin-7-yl]oxybutan-2-ol?
The canonical SMILES for 1-[2-[4-[ethyl(methyl)amino]phenyl]quinolin-7-yl]oxybutan-2-ol is CCC(O)COc1ccc2ccc(-c3ccc(N(C)CC)cc3)nc2c1.
What is the InChIKey of 1-[2-[4-[ethyl(methyl)amino]phenyl]quinolin-7-yl]oxybutan-2-ol?
The InChIKey is HULKMHLHZCZJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-4-19(25)15-26-20-12-8-17-9-13-21(23-22(17)14-20)16-6-10-18(11-7-16)24(3)5-2/h6-14,19,25H,4-5,15H2,1-3H3.
What are the key properties of 1-[2-[4-[ethyl(methyl)amino]phenyl]quinolin-7-yl]oxybutan-2-ol?
1-[2-[4-[ethyl(methyl)amino]phenyl]quinolin-7-yl]oxybutan-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-[ethyl(methyl)amino]phenyl]quinolin-7-yl]oxybutan-2-ol is sourced from PubChem (CID 118655110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).