1-[2-(aminomethyl)cyclopentyl]-7-fluoro-3,4-dihydroquinolin-2-one

C15H19FN2O — CID 43428617

IUPAC1-[2-(aminomethyl)cyclopentyl]-7-fluoro-3,4-dihydroquinolin-2-one
SMILESNCC1CCCC1N1C(=O)CCc2ccc(F)cc21
InChIInChI=1S/C15H19FN2O/c16-12-6-4-10-5-7-15(19)18(14(10)8-12)13-3-1-2-11(13)9-17/h4,6,8,11,13H,1-3,5,7,9,17H2
InChIKeyIFHHMSZKCIHUPV-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.23
Rot. Bonds2

About 1-[2-(aminomethyl)cyclopentyl]-7-fluoro-3,4-dihydroquinolin-2-one

1-[2-(aminomethyl)cyclopentyl]-7-fluoro-3,4-dihydroquinolin-2-one (PubChem CID 43428617) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-[2-(aminomethyl)cyclopentyl]-7-fluoro-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)cyclopentyl]-7-fluoro-3,4-dihydroquinolin-2-one
PubChem CID43428617
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name1-[2-(aminomethyl)cyclopentyl]-7-fluoro-3,4-dihydroquinolin-2-one
SMILESNCC1CCCC1N1C(=O)CCc2ccc(F)cc21
InChIInChI=1S/C15H19FN2O/c16-12-6-4-10-5-7-15(19)18(14(10)8-12)13-3-1-2-11(13)9-17/h4,6,8,11,13H,1-3,5,7,9,17H2
InChIKeyIFHHMSZKCIHUPV-UHFFFAOYSA-N
XLogP2.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)cyclopentyl]pyrrolidine-2,5-dione
CID 43428512
[2-(aminomethyl)cyclopentyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103822177
(7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine
CID 105459047
7-fluoro-1-prop-2-ynyl-3,4-dihydroquinolin-2-one
CID 61344681
2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]cyclohexan-1-amine
CID 103497070
4-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide
CID 43243934
7-fluoro-1-propan-2-yl-3,4-dihydroquinolin-2-one
CID 163270720
3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanal
CID 63041512
1-[[2-(aminomethyl)-4-pyridinyl]methyl]-7-fluoro-3,4-dihydroquinolin-2-one
CID 63888859
2-cyclohexyl-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 103494523
2-[1-[(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)methyl]cyclopropyl]ethanethioamide
CID 65496611
(9-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-2-yl)methanamine
CID 105494822

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)cyclopentyl]-7-fluoro-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[2-(aminomethyl)cyclopentyl]-7-fluoro-3,4-dihydroquinolin-2-one (CID 43428617) is 1-[2-(aminomethyl)cyclopentyl]-7-fluoro-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[2-(aminomethyl)cyclopentyl]-7-fluoro-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[2-(aminomethyl)cyclopentyl]-7-fluoro-3,4-dihydroquinolin-2-one is NCC1CCCC1N1C(=O)CCc2ccc(F)cc21.
What is the InChIKey of 1-[2-(aminomethyl)cyclopentyl]-7-fluoro-3,4-dihydroquinolin-2-one?
The InChIKey is IFHHMSZKCIHUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-12-6-4-10-5-7-15(19)18(14(10)8-12)13-3-1-2-11(13)9-17/h4,6,8,11,13H,1-3,5,7,9,17H2.
What are the key properties of 1-[2-(aminomethyl)cyclopentyl]-7-fluoro-3,4-dihydroquinolin-2-one?
1-[2-(aminomethyl)cyclopentyl]-7-fluoro-3,4-dihydroquinolin-2-one has a molecular weight of 262.33 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)cyclopentyl]-7-fluoro-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 43428617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).