3-[[(2-fluorophenyl)methylamino]methyl]-8-methyl-1H-quinolin-2-one

C18H17FN2O — CID 18525037

IUPAC3-[[(2-fluorophenyl)methylamino]methyl]-8-methyl-1H-quinolin-2-one
SMILESCc1cccc2cc(CNCc3ccccc3F)c(=O)[nH]c12
InChIInChI=1S/C18H17FN2O/c1-12-5-4-7-13-9-15(18(22)21-17(12)13)11-20-10-14-6-2-3-8-16(14)19/h2-9,20H,10-11H2,1H3,(H,21,22)
InChIKeyIUGUEZNJOLIEOM-UHFFFAOYSA-N
MW296.34 g/mol
LogP3.27
Rot. Bonds4

About 3-[[(2-fluorophenyl)methylamino]methyl]-8-methyl-1H-quinolin-2-one

3-[[(2-fluorophenyl)methylamino]methyl]-8-methyl-1H-quinolin-2-one (PubChem CID 18525037) has the molecular formula C18H17FN2O and a molecular weight of 296.34 g/mol. Its IUPAC name is 3-[[(2-fluorophenyl)methylamino]methyl]-8-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(2-fluorophenyl)methylamino]methyl]-8-methyl-1H-quinolin-2-one
PubChem CID18525037
Molecular FormulaC18H17FN2O
Molecular Weight296.34 g/mol
Exact Mass296.13
IUPAC Name3-[[(2-fluorophenyl)methylamino]methyl]-8-methyl-1H-quinolin-2-one
SMILESCc1cccc2cc(CNCc3ccccc3F)c(=O)[nH]c12
InChIInChI=1S/C18H17FN2O/c1-12-5-4-7-13-9-15(18(22)21-17(12)13)11-20-10-14-6-2-3-8-16(14)19/h2-9,20H,10-11H2,1H3,(H,21,22)
InChIKeyIUGUEZNJOLIEOM-UHFFFAOYSA-N
XLogP3.27
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331083
3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one
CID 23009276
8-methyl-3-[[2-(2-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one
CID 3176401
8-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 23009265
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
8-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one
CID 863829
1-(2-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 43221048
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-propan-2-ylazanium
CID 2066167
3-[(benzylamino)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 864730
N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110325811
2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324455
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-phenylethanesulfonamide
CID 110324486

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-fluorophenyl)methylamino]methyl]-8-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[(2-fluorophenyl)methylamino]methyl]-8-methyl-1H-quinolin-2-one (CID 18525037) is 3-[[(2-fluorophenyl)methylamino]methyl]-8-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(2-fluorophenyl)methylamino]methyl]-8-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[(2-fluorophenyl)methylamino]methyl]-8-methyl-1H-quinolin-2-one is Cc1cccc2cc(CNCc3ccccc3F)c(=O)[nH]c12.
What is the InChIKey of 3-[[(2-fluorophenyl)methylamino]methyl]-8-methyl-1H-quinolin-2-one?
The InChIKey is IUGUEZNJOLIEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-12-5-4-7-13-9-15(18(22)21-17(12)13)11-20-10-14-6-2-3-8-16(14)19/h2-9,20H,10-11H2,1H3,(H,21,22).
What are the key properties of 3-[[(2-fluorophenyl)methylamino]methyl]-8-methyl-1H-quinolin-2-one?
3-[[(2-fluorophenyl)methylamino]methyl]-8-methyl-1H-quinolin-2-one has a molecular weight of 296.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-fluorophenyl)methylamino]methyl]-8-methyl-1H-quinolin-2-one is sourced from PubChem (CID 18525037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).