6-(4-cyanophenoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide

C22H21N3O3 — CID 125488465

IUPAC6-(4-cyanophenoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1ccc2cc(Oc3ccc(C#N)cc3)ccc2n1
InChIInChI=1S/C22H21N3O3/c1-14(2)21(13-26)25-22(27)20-9-5-16-11-18(8-10-19(16)24-20)28-17-6-3-15(12-23)4-7-17/h3-11,14,21,26H,13H2,1-2H3,(H,25,27)/t21-/m1/s1
InChIKeyKDSNUJHJOOUXIJ-OAQYLSRUSA-N
MW375.43 g/mol
LogP3.65
Rot. Bonds6

About 6-(4-cyanophenoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide

6-(4-cyanophenoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide (PubChem CID 125488465) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 6-(4-cyanophenoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide.

Molecular Properties

Compound Name6-(4-cyanophenoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide
PubChem CID125488465
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name6-(4-cyanophenoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1ccc2cc(Oc3ccc(C#N)cc3)ccc2n1
InChIInChI=1S/C22H21N3O3/c1-14(2)21(13-26)25-22(27)20-9-5-16-11-18(8-10-19(16)24-20)28-17-6-3-15(12-23)4-7-17/h3-11,14,21,26H,13H2,1-2H3,(H,25,27)/t21-/m1/s1
InChIKeyKDSNUJHJOOUXIJ-OAQYLSRUSA-N
XLogP3.65
TPSA95.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(4-cyanophenoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide with MolForge

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Related Compounds

6-(4-cyanophenoxy)-N-(4-hydroxy-3-methylbutan-2-yl)quinoline-2-carboxamide
CID 118295303
6-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide
CID 118273540
6-(4-cyanophenoxy)-N-[[3-(trifluoromethoxy)phenyl]methyl]quinoline-2-carboxamide
CID 118274015
N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(4-cyanophenoxy)quinoline-2-carboxamide
CID 125488218
3-(4-cyanophenoxy)-N-(4-oxopentan-2-yl)benzamide
CID 71911480
3-(4-cyanophenoxy)-N-(2-hydroxypropyl)benzamide
CID 111469744
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide
CID 79249088
4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzonitrile
CID 68759568
4-[2-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]propoxy]benzonitrile
CID 79248869
4-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzonitrile
CID 79254098
4-[[2-(methylamino)-4-pyridinyl]oxy]benzonitrile
CID 113368098
N-(1-hydroxy-3-methylbutan-2-yl)-2H-benzotriazole-5-carboxamide
CID 79252072

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanophenoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide?
The IUPAC name of 6-(4-cyanophenoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide (CID 125488465) is 6-(4-cyanophenoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide.
What is the SMILES notation for 6-(4-cyanophenoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide?
The canonical SMILES for 6-(4-cyanophenoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide is CC(C)[C@@H](CO)NC(=O)c1ccc2cc(Oc3ccc(C#N)cc3)ccc2n1.
What is the InChIKey of 6-(4-cyanophenoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide?
The InChIKey is KDSNUJHJOOUXIJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-14(2)21(13-26)25-22(27)20-9-5-16-11-18(8-10-19(16)24-20)28-17-6-3-15(12-23)4-7-17/h3-11,14,21,26H,13H2,1-2H3,(H,25,27)/t21-/m1/s1.
What are the key properties of 6-(4-cyanophenoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide?
6-(4-cyanophenoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanophenoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide is sourced from PubChem (CID 125488465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).