6-fluoro-3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-(2-piperidin-1-ylethyl)quinolin-2-one

C23H28FN3O2 — CID 11999062

IUPAC6-fluoro-3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-(2-piperidin-1-ylethyl)quinolin-2-one
SMILESCN(Cc1ccco1)Cc1cc2cc(F)ccc2n(CCN2CCCCC2)c1=O
InChIInChI=1S/C23H28FN3O2/c1-25(17-21-6-5-13-29-21)16-19-14-18-15-20(24)7-8-22(18)27(23(19)28)12-11-26-9-3-2-4-10-26/h5-8,13-15H,2-4,9-12,16-17H2,1H3
InChIKeyMSFHCGSVVHKCIT-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.85
Rot. Bonds7

About 6-fluoro-3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-(2-piperidin-1-ylethyl)quinolin-2-one

6-fluoro-3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-(2-piperidin-1-ylethyl)quinolin-2-one (PubChem CID 11999062) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 6-fluoro-3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-(2-piperidin-1-ylethyl)quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-(2-piperidin-1-ylethyl)quinolin-2-one
PubChem CID11999062
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name6-fluoro-3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-(2-piperidin-1-ylethyl)quinolin-2-one
SMILESCN(Cc1ccco1)Cc1cc2cc(F)ccc2n(CCN2CCCCC2)c1=O
InChIInChI=1S/C23H28FN3O2/c1-25(17-21-6-5-13-29-21)16-19-14-18-15-20(24)7-8-22(18)27(23(19)28)12-11-26-9-3-2-4-10-26/h5-8,13-15H,2-4,9-12,16-17H2,1H3
InChIKeyMSFHCGSVVHKCIT-UHFFFAOYSA-N
XLogP3.85
TPSA41.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-(2-piperidin-1-ylethyl)quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-2-[[furan-2-ylmethyl(methyl)amino]methyl]aniline
CID 43526553
4-fluoro-2-[[furan-2-ylmethyl(methyl)amino]methyl]benzoic acid
CID 114014604
7-[[ethyl(2-hydroxyethyl)amino]methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 56919305
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 63289590
2-[1-(4-fluorophenyl)silolan-1-yl]-N-(furan-2-ylmethyl)-N-methylethanamine
CID 122224024
1-[3-(furan-2-yl)propyl]piperidine
CID 162740839
3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpiperidin-3-ol
CID 56728327
N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 66903339
5-fluoro-3-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-2-one
CID 117208472
1-(3-bromo-4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylmethanamine
CID 61036810
1-(furan-2-ylmethyl)piperidine;methanamine
CID 162741090

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-(2-piperidin-1-ylethyl)quinolin-2-one?
The IUPAC name of 6-fluoro-3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-(2-piperidin-1-ylethyl)quinolin-2-one (CID 11999062) is 6-fluoro-3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-(2-piperidin-1-ylethyl)quinolin-2-one.
What is the SMILES notation for 6-fluoro-3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-(2-piperidin-1-ylethyl)quinolin-2-one?
The canonical SMILES for 6-fluoro-3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-(2-piperidin-1-ylethyl)quinolin-2-one is CN(Cc1ccco1)Cc1cc2cc(F)ccc2n(CCN2CCCCC2)c1=O.
What is the InChIKey of 6-fluoro-3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-(2-piperidin-1-ylethyl)quinolin-2-one?
The InChIKey is MSFHCGSVVHKCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-25(17-21-6-5-13-29-21)16-19-14-18-15-20(24)7-8-22(18)27(23(19)28)12-11-26-9-3-2-4-10-26/h5-8,13-15H,2-4,9-12,16-17H2,1H3.
What are the key properties of 6-fluoro-3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-(2-piperidin-1-ylethyl)quinolin-2-one?
6-fluoro-3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-(2-piperidin-1-ylethyl)quinolin-2-one has a molecular weight of 397.49 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-(2-piperidin-1-ylethyl)quinolin-2-one is sourced from PubChem (CID 11999062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).