(2R)-3-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-2-nitrosopropan-1-ol

C20H21N3O3 — CID 122518377

IUPAC(2R)-3-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-2-nitrosopropan-1-ol
SMILESCN(C)c1ccc(-c2ccc3cc(OC[C@@H](CO)N=O)ccc3n2)cc1
InChIInChI=1S/C20H21N3O3/c1-23(2)17-6-3-14(4-7-17)19-9-5-15-11-18(8-10-20(15)21-19)26-13-16(12-24)22-25/h3-11,16,24H,12-13H2,1-2H3/t16-/m1/s1
InChIKeyOFPPXUDJUNXXIJ-MRXNPFEDSA-N
MW351.41 g/mol
LogP3.47
Rot. Bonds7

About (2R)-3-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-2-nitrosopropan-1-ol

(2R)-3-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-2-nitrosopropan-1-ol (PubChem CID 122518377) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (2R)-3-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-2-nitrosopropan-1-ol.

Molecular Properties

Compound Name(2R)-3-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-2-nitrosopropan-1-ol
PubChem CID122518377
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(2R)-3-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-2-nitrosopropan-1-ol
SMILESCN(C)c1ccc(-c2ccc3cc(OC[C@@H](CO)N=O)ccc3n2)cc1
InChIInChI=1S/C20H21N3O3/c1-23(2)17-6-3-14(4-7-17)19-9-5-15-11-18(8-10-20(15)21-19)26-13-16(12-24)22-25/h3-11,16,24H,12-13H2,1-2H3/t16-/m1/s1
InChIKeyOFPPXUDJUNXXIJ-MRXNPFEDSA-N
XLogP3.47
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-3-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-2-nitrosopropan-1-ol with MolForge

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Related Compounds

4-(6-ethoxyquinolin-2-yl)-N,N-dimethylaniline
CID 125465220
1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxypentan-2-ol
CID 170244403
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
3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropane-1,2-diol
CID 118642420
2-[4-(dimethylamino)phenyl]quinolin-6-ol
CID 46931569
5-[6-(2-amino-3-fluoropropoxy)quinolin-2-yl]-N,N-dimethylpyridin-2-amine
CID 144834039
(2R)-3-[[2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-6-yl]oxy]propane-1,2-diol
CID 122413470
1-[2-[4-[ethyl(methyl)amino]phenyl]quinolin-7-yl]oxybutan-2-ol
CID 118655110
6-methoxy-2-(4-propoxyphenyl)quinoline
CID 102441525
amino-[5-[6-[(2R)-2-hydroxybutoxy]quinolin-2-yl]-2-pyridinyl]cyanamide
CID 146365210
4-[6-[2-[2-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-yl](18F)aniline
CID 73442994
4-(6-methoxyquinolin-2-yl)-N-methylaniline
CID 46931568

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-2-nitrosopropan-1-ol?
The IUPAC name of (2R)-3-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-2-nitrosopropan-1-ol (CID 122518377) is (2R)-3-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-2-nitrosopropan-1-ol.
What is the SMILES notation for (2R)-3-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-2-nitrosopropan-1-ol?
The canonical SMILES for (2R)-3-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-2-nitrosopropan-1-ol is CN(C)c1ccc(-c2ccc3cc(OC[C@@H](CO)N=O)ccc3n2)cc1.
What is the InChIKey of (2R)-3-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-2-nitrosopropan-1-ol?
The InChIKey is OFPPXUDJUNXXIJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-23(2)17-6-3-14(4-7-17)19-9-5-15-11-18(8-10-20(15)21-19)26-13-16(12-24)22-25/h3-11,16,24H,12-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-3-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-2-nitrosopropan-1-ol?
(2R)-3-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-2-nitrosopropan-1-ol has a molecular weight of 351.41 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-2-nitrosopropan-1-ol is sourced from PubChem (CID 122518377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).