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

C22H19FN4O — CID 17452746

IUPACN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC(c2cccc(F)c2)c2nccn2C)c2ccccc2n1
InChIInChI=1S/C22H19FN4O/c1-14-12-18(17-8-3-4-9-19(17)25-14)22(28)26-20(21-24-10-11-27(21)2)15-6-5-7-16(23)13-15/h3-13,20H,1-2H3,(H,26,28)
InChIKeyZLUMIMWBVKEOOZ-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.94
Rot. Bonds4

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

N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide (PubChem CID 17452746) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide
PubChem CID17452746
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC NameN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC(c2cccc(F)c2)c2nccn2C)c2ccccc2n1
InChIInChI=1S/C22H19FN4O/c1-14-12-18(17-8-3-4-9-19(17)25-14)22(28)26-20(21-24-10-11-27(21)2)15-6-5-7-16(23)13-15/h3-13,20H,1-2H3,(H,26,28)
InChIKeyZLUMIMWBVKEOOZ-UHFFFAOYSA-N
XLogP3.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 55454114
7-fluoro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide
CID 55607345
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014672
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
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 47014678
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylfuran-3-carboxamide
CID 25368073
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide
CID 25356221
2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17406821
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 25405053
1-(4-chlorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 24649483
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-phenylpyrazole-3-carboxamide
CID 55651703

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide (CID 17452746) is N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NC(c2cccc(F)c2)c2nccn2C)c2ccccc2n1.
What is the InChIKey of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide?
The InChIKey is ZLUMIMWBVKEOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c1-14-12-18(17-8-3-4-9-19(17)25-14)22(28)26-20(21-24-10-11-27(21)2)15-6-5-7-16(23)13-15/h3-13,20H,1-2H3,(H,26,28).
What are the key properties of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide?
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 17452746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).