7-fluoro-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-quinolin-2-one

C18H18FN3O — CID 56723183

IUPAC7-fluoro-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-quinolin-2-one
SMILESCN(CCc1ccccn1)Cc1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C18H18FN3O/c1-22(9-7-16-4-2-3-8-20-16)12-14-10-13-5-6-15(19)11-17(13)21-18(14)23/h2-6,8,10-11H,7,9,12H2,1H3,(H,21,23)
InChIKeyQKHVFDJCEXXRIW-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.74
Rot. Bonds5

About 7-fluoro-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-quinolin-2-one

7-fluoro-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 56723183) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 7-fluoro-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-quinolin-2-one
PubChem CID56723183
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name7-fluoro-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-quinolin-2-one
SMILESCN(CCc1ccccn1)Cc1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C18H18FN3O/c1-22(9-7-16-4-2-3-8-20-16)12-14-10-13-5-6-15(19)11-17(13)21-18(14)23/h2-6,8,10-11H,7,9,12H2,1H3,(H,21,23)
InChIKeyQKHVFDJCEXXRIW-UHFFFAOYSA-N
XLogP2.74
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 56721286
4-fluoro-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]benzenecarbothioamide
CID 64765776
3-[[(5-ethyl-2-pyridinyl)methyl-methylamino]methyl]-7-fluoro-1H-quinolin-2-one
CID 56705728
N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 163417678
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
N-[(2-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 779150
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
N-methyl-3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 53174667
3-fluoro-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]benzoic acid
CID 63069441
N-(2,4-difluorophenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide
CID 171701675
N-methyl-2-pyridin-2-yl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438267
4-chloro-2,6-bis[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol
CID 139202506

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-quinolin-2-one (CID 56723183) is 7-fluoro-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-quinolin-2-one is CN(CCc1ccccn1)Cc1cc2ccc(F)cc2[nH]c1=O.
What is the InChIKey of 7-fluoro-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is QKHVFDJCEXXRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-22(9-7-16-4-2-3-8-20-16)12-14-10-13-5-6-15(19)11-17(13)21-18(14)23/h2-6,8,10-11H,7,9,12H2,1H3,(H,21,23).
What are the key properties of 7-fluoro-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-quinolin-2-one?
7-fluoro-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 311.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 56723183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).