3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropane-1,2-diol

C19H20N2O3 — CID 118642420

IUPAC3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropane-1,2-diol
SMILESCNc1ccc(-c2ccc3cc(OCC(O)CO)ccc3n2)cc1
InChIInChI=1S/C19H20N2O3/c1-20-15-5-2-13(3-6-15)18-8-4-14-10-17(7-9-19(14)21-18)24-12-16(23)11-22/h2-10,16,20,22-23H,11-12H2,1H3
InChIKeyGSXDKFSYAZZJKI-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.68
Rot. Bonds6

About 3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropane-1,2-diol

3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropane-1,2-diol (PubChem CID 118642420) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropane-1,2-diol.

Molecular Properties

Compound Name3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropane-1,2-diol
PubChem CID118642420
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropane-1,2-diol
SMILESCNc1ccc(-c2ccc3cc(OCC(O)CO)ccc3n2)cc1
InChIInChI=1S/C19H20N2O3/c1-20-15-5-2-13(3-6-15)18-8-4-14-10-17(7-9-19(14)21-18)24-12-16(23)11-22/h2-10,16,20,22-23H,11-12H2,1H3
InChIKeyGSXDKFSYAZZJKI-UHFFFAOYSA-N
XLogP2.68
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-[[2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]oxy]propane-1,2-diol
CID 122413466
4-(6-methoxyquinolin-2-yl)-N-methylaniline
CID 46931568
(2R)-3-[[2-[4-(methylamino)phenyl]-1,3-benzoxazol-5-yl]oxy]propane-1,2-diol
CID 122413458
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
1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxypentan-2-ol
CID 170244403
1-(18F)fluoro-3-[[2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]oxy]propan-2-ol
CID 52933240
(2S)-1-fluoro-3-[[2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]oxy]propan-2-ol
CID 122413432
(2R)-3-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-2-nitrosopropan-1-ol
CID 122518377
(2R)-1-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxy-6-propoxyhexan-2-ol
CID 157199901
(2S)-1-[[2-[4-(methylamino)phenyl]-1,3-benzoxazol-5-yl]oxy]butan-2-ol
CID 129018172
4-(6-ethoxyquinolin-2-yl)-N,N-dimethylaniline
CID 125465220
methyl 6-(2,3-dihydroxypropoxy)naphthalene-2-carboxylate
CID 67087010

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropane-1,2-diol?
The IUPAC name of 3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropane-1,2-diol (CID 118642420) is 3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropane-1,2-diol.
What is the SMILES notation for 3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropane-1,2-diol?
The canonical SMILES for 3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropane-1,2-diol is CNc1ccc(-c2ccc3cc(OCC(O)CO)ccc3n2)cc1.
What is the InChIKey of 3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropane-1,2-diol?
The InChIKey is GSXDKFSYAZZJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-20-15-5-2-13(3-6-15)18-8-4-14-10-17(7-9-19(14)21-18)24-12-16(23)11-22/h2-10,16,20,22-23H,11-12H2,1H3.
What are the key properties of 3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropane-1,2-diol?
3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropane-1,2-diol has a molecular weight of 324.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropane-1,2-diol is sourced from PubChem (CID 118642420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).