N-[4-(5-fluoro-2-hydroxyphenyl)-8-hydroxyquinolin-7-yl]-2,2-dimethylpropanamide

C20H19FN2O3 — CID 155518755

IUPACN-[4-(5-fluoro-2-hydroxyphenyl)-8-hydroxyquinolin-7-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc2c(-c3cc(F)ccc3O)ccnc2c1O
InChIInChI=1S/C20H19FN2O3/c1-20(2,3)19(26)23-15-6-5-13-12(8-9-22-17(13)18(15)25)14-10-11(21)4-7-16(14)24/h4-10,24-25H,1-3H3,(H,23,26)
InChIKeyAXDUJUALAUHLFF-UHFFFAOYSA-N
MW354.38 g/mol
LogP4.44
Rot. Bonds2

About N-[4-(5-fluoro-2-hydroxyphenyl)-8-hydroxyquinolin-7-yl]-2,2-dimethylpropanamide

N-[4-(5-fluoro-2-hydroxyphenyl)-8-hydroxyquinolin-7-yl]-2,2-dimethylpropanamide (PubChem CID 155518755) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is N-[4-(5-fluoro-2-hydroxyphenyl)-8-hydroxyquinolin-7-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(5-fluoro-2-hydroxyphenyl)-8-hydroxyquinolin-7-yl]-2,2-dimethylpropanamide
PubChem CID155518755
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC NameN-[4-(5-fluoro-2-hydroxyphenyl)-8-hydroxyquinolin-7-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc2c(-c3cc(F)ccc3O)ccnc2c1O
InChIInChI=1S/C20H19FN2O3/c1-20(2,3)19(26)23-15-6-5-13-12(8-9-22-17(13)18(15)25)14-10-11(21)4-7-16(14)24/h4-10,24-25H,1-3H3,(H,23,26)
InChIKeyAXDUJUALAUHLFF-UHFFFAOYSA-N
XLogP4.44
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[4-(5-fluoro-2-hydroxyphenyl)-8-methoxyquinolin-7-yl]acetamide
CID 155514305
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 59677530
N-(2-fluoro-4-hydroxyphenyl)-2,2-dimethylpropanamide
CID 64795167
N-[2-(2-ethyl-3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide
CID 11822715
N-[2-[3-fluoro-2-(1-hydroxyethyl)-4-pyridinyl]phenyl]-2,2-dimethylpropanamide
CID 11067056
2,2,2-trifluoro-N-(5-fluoro-2-hydroxyphenyl)acetamide
CID 15688157
N-[2-(3-aminopropanoylamino)-4-fluorophenyl]-2,2-dimethylpropanamide
CID 82034298
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylpropanamide
CID 60804187
N-[4-(2,4-difluoroanilino)phenyl]-2,2-dimethylpropanamide
CID 112989406
4-[6-(2,2-dimethylpropanoylamino)-2,3-difluorophenoxy]pyridine-2-carboxamide
CID 66917646
N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
CID 14911507
N-(2-fluoro-4-methylphenyl)-2,2-dimethylpropanamide
CID 24898894

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoro-2-hydroxyphenyl)-8-hydroxyquinolin-7-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(5-fluoro-2-hydroxyphenyl)-8-hydroxyquinolin-7-yl]-2,2-dimethylpropanamide (CID 155518755) is N-[4-(5-fluoro-2-hydroxyphenyl)-8-hydroxyquinolin-7-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(5-fluoro-2-hydroxyphenyl)-8-hydroxyquinolin-7-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(5-fluoro-2-hydroxyphenyl)-8-hydroxyquinolin-7-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc2c(-c3cc(F)ccc3O)ccnc2c1O.
What is the InChIKey of N-[4-(5-fluoro-2-hydroxyphenyl)-8-hydroxyquinolin-7-yl]-2,2-dimethylpropanamide?
The InChIKey is AXDUJUALAUHLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-20(2,3)19(26)23-15-6-5-13-12(8-9-22-17(13)18(15)25)14-10-11(21)4-7-16(14)24/h4-10,24-25H,1-3H3,(H,23,26).
What are the key properties of N-[4-(5-fluoro-2-hydroxyphenyl)-8-hydroxyquinolin-7-yl]-2,2-dimethylpropanamide?
N-[4-(5-fluoro-2-hydroxyphenyl)-8-hydroxyquinolin-7-yl]-2,2-dimethylpropanamide has a molecular weight of 354.38 g/mol, XLogP of 4.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoro-2-hydroxyphenyl)-8-hydroxyquinolin-7-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 155518755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).