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

C16H23FN2O — CID 43487537

IUPAC6-[2-ethyl-1-(methylamino)butyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(CC)C(NC)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C16H23FN2O/c1-4-10(5-2)16(18-3)12-8-11-6-7-15(20)19-14(11)9-13(12)17/h8-10,16,18H,4-7H2,1-3H3,(H,19,20)
InChIKeyFRTAEGFFGIPFAL-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.41
Rot. Bonds5

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

6-[2-ethyl-1-(methylamino)butyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43487537) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 6-[2-ethyl-1-(methylamino)butyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-ethyl-1-(methylamino)butyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID43487537
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name6-[2-ethyl-1-(methylamino)butyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(CC)C(NC)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C16H23FN2O/c1-4-10(5-2)16(18-3)12-8-11-6-7-15(20)19-14(11)9-13(12)17/h8-10,16,18H,4-7H2,1-3H3,(H,19,20)
InChIKeyFRTAEGFFGIPFAL-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

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Related Compounds

7-fluoro-6-[3-methyl-1-(methylamino)butyl]-3,4-dihydro-1H-quinolin-2-one
CID 43487531
7-fluoro-6-[4-methyl-1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one
CID 43487524
6-[2-cyclopropyl-1-(ethylamino)propyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 83149790
6-[1-(ethylamino)butyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43493677
6-(1-amino-2-methylpentyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457682
7-fluoro-6-[methylamino-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43487536
2-ethyl-N-methyl-1-(2,4,5-trifluorophenyl)butan-1-amine
CID 103302248
6-[(2-bromofuran-3-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 106851594
6-(1-bromooctyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 63442754
7-fluoro-6-(2,2,3,3,3-pentafluoro-1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 61083240
6-fluoro-7-(heptan-4-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43723940
6-[1-amino-2-(1-methoxycyclobutyl)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 103556144

Frequently Asked Questions

What is the IUPAC name of 6-[2-ethyl-1-(methylamino)butyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-ethyl-1-(methylamino)butyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 43487537) is 6-[2-ethyl-1-(methylamino)butyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-ethyl-1-(methylamino)butyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-ethyl-1-(methylamino)butyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is CCC(CC)C(NC)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 6-[2-ethyl-1-(methylamino)butyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FRTAEGFFGIPFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-4-10(5-2)16(18-3)12-8-11-6-7-15(20)19-14(11)9-13(12)17/h8-10,16,18H,4-7H2,1-3H3,(H,19,20).
What are the key properties of 6-[2-ethyl-1-(methylamino)butyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
6-[2-ethyl-1-(methylamino)butyl]-7-fluoro-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 6-[2-ethyl-1-(methylamino)butyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43487537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).