3-amino-1-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-6,7-dihydroquinolin-2-one

C16H17FN2O — CID 123688124

IUPAC3-amino-1-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-6,7-dihydroquinolin-2-one
SMILESNc1cc2c(n(CC3C=CC(F)=CC3)c1=O)=CCCC=2
InChIInChI=1S/C16H17FN2O/c17-13-7-5-11(6-8-13)10-19-15-4-2-1-3-12(15)9-14(18)16(19)20/h3-5,7-9,11H,1-2,6,10,18H2
InChIKeyUEPVILNWAVYXRR-UHFFFAOYSA-N
MW272.32 g/mol
LogP1.21
Rot. Bonds2

About 3-amino-1-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-6,7-dihydroquinolin-2-one

3-amino-1-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-6,7-dihydroquinolin-2-one (PubChem CID 123688124) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 3-amino-1-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-6,7-dihydroquinolin-2-one.

Molecular Properties

Compound Name3-amino-1-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-6,7-dihydroquinolin-2-one
PubChem CID123688124
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name3-amino-1-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-6,7-dihydroquinolin-2-one
SMILESNc1cc2c(n(CC3C=CC(F)=CC3)c1=O)=CCCC=2
InChIInChI=1S/C16H17FN2O/c17-13-7-5-11(6-8-13)10-19-15-4-2-1-3-12(15)9-14(18)16(19)20/h3-5,7-9,11H,1-2,6,10,18H2
InChIKeyUEPVILNWAVYXRR-UHFFFAOYSA-N
XLogP1.21
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-6,7-dihydroquinolin-2-one with MolForge

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Related Compounds

2-Tert-butyl-8-methyl-9-[(5-methylcyclohexa-1,3-dien-1-yl)amino]quinolizin-4-one
CID 144730517
3-Amino-4,6-dimethyl-1-(3-methylbutyl)pyridin-2-one
CID 82466700
3-Amino-1-(3-methylbutyl)-6-propan-2-ylpyridin-2-one
CID 82466728
3-Amino-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82466772
3-amino-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82466787
3-amino-6-ethyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82466802
3-Amino-1-methyl-6-(2-methylpropyl)pyridin-2-one
CID 105439011
3-Amino-1-ethyl-6-(2-methylpropyl)pyridin-2-one
CID 105448467
3-Amino-6-(2-methylpropyl)-1-propan-2-ylpyridin-2-one
CID 105462267
3-Amino-1-(2-methylpropyl)-6-propylpyridin-2-one
CID 105462269
3-Amino-6-(2-methylpropyl)-1-propylpyridin-2-one
CID 105462271
3-Amino-1,6-bis(2-methylpropyl)pyridin-2-one
CID 105479644

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-6,7-dihydroquinolin-2-one?
The IUPAC name of 3-amino-1-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-6,7-dihydroquinolin-2-one (CID 123688124) is 3-amino-1-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-6,7-dihydroquinolin-2-one.
What is the SMILES notation for 3-amino-1-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-6,7-dihydroquinolin-2-one?
The canonical SMILES for 3-amino-1-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-6,7-dihydroquinolin-2-one is Nc1cc2c(n(CC3C=CC(F)=CC3)c1=O)=CCCC=2.
What is the InChIKey of 3-amino-1-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-6,7-dihydroquinolin-2-one?
The InChIKey is UEPVILNWAVYXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c17-13-7-5-11(6-8-13)10-19-15-4-2-1-3-12(15)9-14(18)16(19)20/h3-5,7-9,11H,1-2,6,10,18H2.
What are the key properties of 3-amino-1-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-6,7-dihydroquinolin-2-one?
3-amino-1-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-6,7-dihydroquinolin-2-one has a molecular weight of 272.32 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-6,7-dihydroquinolin-2-one is sourced from PubChem (CID 123688124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).