N-[4-(5-fluoro-2-hydroxyphenyl)-8-methoxyquinolin-7-yl]acetamide

C18H15FN2O3 — CID 155514305

IUPACN-[4-(5-fluoro-2-hydroxyphenyl)-8-methoxyquinolin-7-yl]acetamide
SMILESCOc1c(NC(C)=O)ccc2c(-c3cc(F)ccc3O)ccnc12
InChIInChI=1S/C18H15FN2O3/c1-10(22)21-15-5-4-13-12(7-8-20-17(13)18(15)24-2)14-9-11(19)3-6-16(14)23/h3-9,23H,1-2H3,(H,21,22)
InChIKeyVPAIBIJQLFIVLA-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.71
Rot. Bonds3

About N-[4-(5-fluoro-2-hydroxyphenyl)-8-methoxyquinolin-7-yl]acetamide

N-[4-(5-fluoro-2-hydroxyphenyl)-8-methoxyquinolin-7-yl]acetamide (PubChem CID 155514305) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-[4-(5-fluoro-2-hydroxyphenyl)-8-methoxyquinolin-7-yl]acetamide.

Molecular Properties

Compound NameN-[4-(5-fluoro-2-hydroxyphenyl)-8-methoxyquinolin-7-yl]acetamide
PubChem CID155514305
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC NameN-[4-(5-fluoro-2-hydroxyphenyl)-8-methoxyquinolin-7-yl]acetamide
SMILESCOc1c(NC(C)=O)ccc2c(-c3cc(F)ccc3O)ccnc12
InChIInChI=1S/C18H15FN2O3/c1-10(22)21-15-5-4-13-12(7-8-20-17(13)18(15)24-2)14-9-11(19)3-6-16(14)23/h3-9,23H,1-2H3,(H,21,22)
InChIKeyVPAIBIJQLFIVLA-UHFFFAOYSA-N
XLogP3.71
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(5-fluoro-2-hydroxyphenyl)-8-hydroxyquinolin-7-yl]-2,2-dimethylpropanamide
CID 155518755
N-(8-methoxy-4-phenylquinolin-7-yl)acetamide
CID 155168884
N-[4-(3-acetamidophenyl)-8-methoxyquinolin-7-yl]acetamide
CID 155168993
N-(8-methoxy-4-thiophen-2-ylquinolin-7-yl)acetamide
CID 155168948
N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]acetamide
CID 140628304
methyl 2-acetamido-5-fluorobenzoate
CID 60786102
4-(5-fluoro-2-hydroxyphenyl)-3-methoxybenzoic acid
CID 53225716
methyl 4-(2-chloro-5-fluorophenyl)quinoline-6-carboxylate
CID 67961079
N-[2-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]acetamide
CID 9017920
N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337
N-(4-fluoro-2-formylphenyl)acetamide
CID 84768300
8-hydroxy-6-methoxyquinoline-4-carboxylic acid
CID 174995334

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoro-2-hydroxyphenyl)-8-methoxyquinolin-7-yl]acetamide?
The IUPAC name of N-[4-(5-fluoro-2-hydroxyphenyl)-8-methoxyquinolin-7-yl]acetamide (CID 155514305) is N-[4-(5-fluoro-2-hydroxyphenyl)-8-methoxyquinolin-7-yl]acetamide.
What is the SMILES notation for N-[4-(5-fluoro-2-hydroxyphenyl)-8-methoxyquinolin-7-yl]acetamide?
The canonical SMILES for N-[4-(5-fluoro-2-hydroxyphenyl)-8-methoxyquinolin-7-yl]acetamide is COc1c(NC(C)=O)ccc2c(-c3cc(F)ccc3O)ccnc12.
What is the InChIKey of N-[4-(5-fluoro-2-hydroxyphenyl)-8-methoxyquinolin-7-yl]acetamide?
The InChIKey is VPAIBIJQLFIVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-10(22)21-15-5-4-13-12(7-8-20-17(13)18(15)24-2)14-9-11(19)3-6-16(14)23/h3-9,23H,1-2H3,(H,21,22).
What are the key properties of N-[4-(5-fluoro-2-hydroxyphenyl)-8-methoxyquinolin-7-yl]acetamide?
N-[4-(5-fluoro-2-hydroxyphenyl)-8-methoxyquinolin-7-yl]acetamide has a molecular weight of 326.33 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoro-2-hydroxyphenyl)-8-methoxyquinolin-7-yl]acetamide is sourced from PubChem (CID 155514305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).