amino-[5-[6-[(2R)-2-hydroxybutoxy]quinolin-2-yl]-2-pyridinyl]cyanamide

C19H19N5O2 — CID 146365210

IUPACamino-[5-[6-[(2R)-2-hydroxybutoxy]quinolin-2-yl]-2-pyridinyl]cyanamide
SMILESCC[C@@H](O)COc1ccc2nc(-c3ccc(N(N)C#N)nc3)ccc2c1
InChIInChI=1S/C19H19N5O2/c1-2-15(25)11-26-16-5-7-17-13(9-16)3-6-18(23-17)14-4-8-19(22-10-14)24(21)12-20/h3-10,15,25H,2,11,21H2,1H3/t15-/m1/s1
InChIKeyAWMVNJYZBZBOLU-OAHLLOKOSA-N
MW349.39 g/mol
LogP2.61
Rot. Bonds6

About amino-[5-[6-[(2R)-2-hydroxybutoxy]quinolin-2-yl]-2-pyridinyl]cyanamide

amino-[5-[6-[(2R)-2-hydroxybutoxy]quinolin-2-yl]-2-pyridinyl]cyanamide (PubChem CID 146365210) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is amino-[5-[6-[(2R)-2-hydroxybutoxy]quinolin-2-yl]-2-pyridinyl]cyanamide.

Molecular Properties

Compound Nameamino-[5-[6-[(2R)-2-hydroxybutoxy]quinolin-2-yl]-2-pyridinyl]cyanamide
PubChem CID146365210
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Nameamino-[5-[6-[(2R)-2-hydroxybutoxy]quinolin-2-yl]-2-pyridinyl]cyanamide
SMILESCC[C@@H](O)COc1ccc2nc(-c3ccc(N(N)C#N)nc3)ccc2c1
InChIInChI=1S/C19H19N5O2/c1-2-15(25)11-26-16-5-7-17-13(9-16)3-6-18(23-17)14-4-8-19(22-10-14)24(21)12-20/h3-10,15,25H,2,11,21H2,1H3/t15-/m1/s1
InChIKeyAWMVNJYZBZBOLU-OAHLLOKOSA-N
XLogP2.61
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[6-(2-amino-3-fluoropropoxy)quinolin-2-yl]-N,N-dimethylpyridin-2-amine
CID 144834039
1-[2-[4-[ethyl(methyl)amino]phenyl]quinolin-7-yl]oxybutan-2-ol
CID 118655110
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
(2R)-1-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxy-6-propoxyhexan-2-ol
CID 157199901
4-(6-ethoxyquinolin-2-yl)-N,N-dimethylaniline
CID 125465220
N,N-dimethyl-5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine;5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine
CID 160797301
(2R)-3-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-2-nitrosopropan-1-ol
CID 122518377
(2S)-1-[[2-[6-(dimethylamino)-3-pyridinyl]-1,3-benzoxazol-5-yl]oxy]-3-fluoropropan-2-ol
CID 122413455
1-[(2-methyl-1,3-benzothiazol-6-yl)oxy]butan-2-ol
CID 90124996
[2-hydroxy-3-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxypropyl] 4-methylbenzenesulfonate
CID 118657096

Frequently Asked Questions

What is the IUPAC name of amino-[5-[6-[(2R)-2-hydroxybutoxy]quinolin-2-yl]-2-pyridinyl]cyanamide?
The IUPAC name of amino-[5-[6-[(2R)-2-hydroxybutoxy]quinolin-2-yl]-2-pyridinyl]cyanamide (CID 146365210) is amino-[5-[6-[(2R)-2-hydroxybutoxy]quinolin-2-yl]-2-pyridinyl]cyanamide.
What is the SMILES notation for amino-[5-[6-[(2R)-2-hydroxybutoxy]quinolin-2-yl]-2-pyridinyl]cyanamide?
The canonical SMILES for amino-[5-[6-[(2R)-2-hydroxybutoxy]quinolin-2-yl]-2-pyridinyl]cyanamide is CC[C@@H](O)COc1ccc2nc(-c3ccc(N(N)C#N)nc3)ccc2c1.
What is the InChIKey of amino-[5-[6-[(2R)-2-hydroxybutoxy]quinolin-2-yl]-2-pyridinyl]cyanamide?
The InChIKey is AWMVNJYZBZBOLU-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-2-15(25)11-26-16-5-7-17-13(9-16)3-6-18(23-17)14-4-8-19(22-10-14)24(21)12-20/h3-10,15,25H,2,11,21H2,1H3/t15-/m1/s1.
What are the key properties of amino-[5-[6-[(2R)-2-hydroxybutoxy]quinolin-2-yl]-2-pyridinyl]cyanamide?
amino-[5-[6-[(2R)-2-hydroxybutoxy]quinolin-2-yl]-2-pyridinyl]cyanamide has a molecular weight of 349.39 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[5-[6-[(2R)-2-hydroxybutoxy]quinolin-2-yl]-2-pyridinyl]cyanamide is sourced from PubChem (CID 146365210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).