N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide

C28H23FN4O2 — CID 55454114

IUPACN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(c3cccc(F)c3)c3nccn3C)c3ccccc3n2)cc1
InChIInChI=1S/C28H23FN4O2/c1-33-15-14-30-27(33)26(19-6-5-7-20(29)16-19)32-28(34)23-17-25(18-10-12-21(35-2)13-11-18)31-24-9-4-3-8-22(23)24/h3-17,26H,1-2H3,(H,32,34)
InChIKeyNYJYZCQDZNJOGE-UHFFFAOYSA-N
MW466.52 g/mol
LogP5.30
Rot. Bonds6

About N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide

N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 55454114) has the molecular formula C28H23FN4O2 and a molecular weight of 466.52 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
PubChem CID55454114
Molecular FormulaC28H23FN4O2
Molecular Weight466.52 g/mol
Exact Mass466.18
IUPAC NameN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(c3cccc(F)c3)c3nccn3C)c3ccccc3n2)cc1
InChIInChI=1S/C28H23FN4O2/c1-33-15-14-30-27(33)26(19-6-5-7-20(29)16-19)32-28(34)23-17-25(18-10-12-21(35-2)13-11-18)31-24-9-4-3-8-22(23)24/h3-17,26H,1-2H3,(H,32,34)
InChIKeyNYJYZCQDZNJOGE-UHFFFAOYSA-N
XLogP5.30
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.52
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide
CID 17452746
2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide
CID 46631518
2-cyclopropyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide
CID 55457097
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112808136
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014672
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 47014678
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 55453555
7-fluoro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-3-carboxamide
CID 46808458
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,5-dimethylthiophene-3-carboxamide
CID 47014697
2-(2,4-dimethoxyphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 46528435
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 46529258
2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40953006

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide (CID 55454114) is N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NC(c3cccc(F)c3)c3nccn3C)c3ccccc3n2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is NYJYZCQDZNJOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN4O2/c1-33-15-14-30-27(33)26(19-6-5-7-20(29)16-19)32-28(34)23-17-25(18-10-12-21(35-2)13-11-18)31-24-9-4-3-8-22(23)24/h3-17,26H,1-2H3,(H,32,34).
What are the key properties of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 466.52 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 55454114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).