6-(1-amino-2-methylpentyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one

C15H21FN2O — CID 43457682

IUPAC6-(1-amino-2-methylpentyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESCCCC(C)C(N)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C15H21FN2O/c1-3-4-9(2)15(17)11-7-10-5-6-14(19)18-13(10)8-12(11)16/h7-9,15H,3-6,17H2,1-2H3,(H,18,19)
InChIKeyQTNWTSUQVWAFMY-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.15
Rot. Bonds4

About 6-(1-amino-2-methylpentyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one

6-(1-amino-2-methylpentyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43457682) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 6-(1-amino-2-methylpentyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(1-amino-2-methylpentyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID43457682
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name6-(1-amino-2-methylpentyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESCCCC(C)C(N)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C15H21FN2O/c1-3-4-9(2)15(17)11-7-10-5-6-14(19)18-13(10)8-12(11)16/h7-9,15H,3-6,17H2,1-2H3,(H,18,19)
InChIKeyQTNWTSUQVWAFMY-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[1-(ethylamino)butyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43493677
6-(1-bromooctyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 63442754
6-[2-ethyl-1-(methylamino)butyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43487537
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-fluoro-7-(heptan-4-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43723940
6-amino-6-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)hexanamide
CID 60860353
6-[amino(cyclobutyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43383703
6-[1-amino-2-(1-methoxycyclobutyl)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 103556144
6-[amino-(4-chlorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457663
6-[2-cyclopropyl-1-(ethylamino)propyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 83149790
6-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 103207168

Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-2-methylpentyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(1-amino-2-methylpentyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 43457682) is 6-(1-amino-2-methylpentyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(1-amino-2-methylpentyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(1-amino-2-methylpentyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one is CCCC(C)C(N)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 6-(1-amino-2-methylpentyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QTNWTSUQVWAFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-3-4-9(2)15(17)11-7-10-5-6-14(19)18-13(10)8-12(11)16/h7-9,15H,3-6,17H2,1-2H3,(H,18,19).
What are the key properties of 6-(1-amino-2-methylpentyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
6-(1-amino-2-methylpentyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 264.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-amino-2-methylpentyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43457682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).