6-fluoro-2-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one

C21H19FN4O — CID 72847538

IUPAC6-fluoro-2-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one
SMILESCc1nccn1-c1ccccc1CNCc1cc(=O)c2cc(F)ccc2[nH]1
InChIInChI=1S/C21H19FN4O/c1-14-24-8-9-26(14)20-5-3-2-4-15(20)12-23-13-17-11-21(27)18-10-16(22)6-7-19(18)25-17/h2-11,23H,12-13H2,1H3,(H,25,27)
InChIKeyWMEQQUMDDAXZBW-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.45
Rot. Bonds5

About 6-fluoro-2-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one

6-fluoro-2-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one (PubChem CID 72847538) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 6-fluoro-2-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one
PubChem CID72847538
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name6-fluoro-2-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one
SMILESCc1nccn1-c1ccccc1CNCc1cc(=O)c2cc(F)ccc2[nH]1
InChIInChI=1S/C21H19FN4O/c1-14-24-8-9-26(14)20-5-3-2-4-15(20)12-23-13-17-11-21(27)18-10-16(22)6-7-19(18)25-17/h2-11,23H,12-13H2,1H3,(H,25,27)
InChIKeyWMEQQUMDDAXZBW-UHFFFAOYSA-N
XLogP3.45
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 38013699
1-(2,4-difluorophenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea
CID 47085409
6-fluoro-2-[[2-(2-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]-1H-quinolin-4-one
CID 72842668
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43908480
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 48734949
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 86845340
2-[[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]methyl]-6-fluoro-1H-quinolin-4-one
CID 72846574
2-[[[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one
CID 97137062
2-[[3-(3,5-dimethylpyrazolidin-4-yl)propylamino]methyl]-6-fluoro-1H-quinolin-4-one
CID 134080266
1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 47078008
5-fluoro-2-(2-methylimidazol-1-yl)benzaldehyde
CID 43313022
2-[[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methylamino]methyl]-1H-quinolin-4-one
CID 45194773

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one?
The IUPAC name of 6-fluoro-2-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one (CID 72847538) is 6-fluoro-2-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-fluoro-2-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6-fluoro-2-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one is Cc1nccn1-c1ccccc1CNCc1cc(=O)c2cc(F)ccc2[nH]1.
What is the InChIKey of 6-fluoro-2-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one?
The InChIKey is WMEQQUMDDAXZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-14-24-8-9-26(14)20-5-3-2-4-15(20)12-23-13-17-11-21(27)18-10-16(22)6-7-19(18)25-17/h2-11,23H,12-13H2,1H3,(H,25,27).
What are the key properties of 6-fluoro-2-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one?
6-fluoro-2-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one has a molecular weight of 362.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 72847538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).