7-fluoro-6-[4-methyl-1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one

C16H23FN2O — CID 43487524

IUPAC7-fluoro-6-[4-methyl-1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCNC(CCC(C)C)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C16H23FN2O/c1-10(2)4-6-14(18-3)12-8-11-5-7-16(20)19-15(11)9-13(12)17/h8-10,14,18H,4-7H2,1-3H3,(H,19,20)
InChIKeyQQYHQBJXEQZQPL-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.41
Rot. Bonds5

About 7-fluoro-6-[4-methyl-1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one

7-fluoro-6-[4-methyl-1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43487524) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 7-fluoro-6-[4-methyl-1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-6-[4-methyl-1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID43487524
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name7-fluoro-6-[4-methyl-1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCNC(CCC(C)C)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C16H23FN2O/c1-10(2)4-6-14(18-3)12-8-11-5-7-16(20)19-15(11)9-13(12)17/h8-10,14,18H,4-7H2,1-3H3,(H,19,20)
InChIKeyQQYHQBJXEQZQPL-UHFFFAOYSA-N
XLogP3.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-6-[4-methyl-1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

7-fluoro-6-[3-methyl-1-(methylamino)butyl]-3,4-dihydro-1H-quinolin-2-one
CID 43487531
6-[1-(ethylamino)butyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43493677
6-[2-ethyl-1-(methylamino)butyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43487537
7-fluoro-6-[methylamino-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43487536
6-(1-bromooctyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 63442754
6-[2-cyclopropyl-1-(ethylamino)propyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 83149790
6-[(2-bromofuran-3-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 106851594
1-(2,4-difluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine
CID 79723951
6-[amino(cyclobutyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43383703
7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43457554
7-fluoro-6-(2,2,3,3,3-pentafluoro-1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 61083240
3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 120516375

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[4-methyl-1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-6-[4-methyl-1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one (CID 43487524) is 7-fluoro-6-[4-methyl-1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-6-[4-methyl-1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-6-[4-methyl-1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one is CNC(CCC(C)C)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 7-fluoro-6-[4-methyl-1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QQYHQBJXEQZQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-10(2)4-6-14(18-3)12-8-11-5-7-16(20)19-15(11)9-13(12)17/h8-10,14,18H,4-7H2,1-3H3,(H,19,20).
What are the key properties of 7-fluoro-6-[4-methyl-1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-6-[4-methyl-1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 278.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[4-methyl-1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43487524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).