7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one

C12H12FNO — CID 102581431

IUPAC7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one
SMILESO=C1CC2CCCN2c2ccc(F)cc21
InChIInChI=1S/C12H12FNO/c13-8-3-4-11-10(6-8)12(15)7-9-2-1-5-14(9)11/h3-4,6,9H,1-2,5,7H2
InChIKeyASXHQLWHVJOVLZ-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.38
Rot. Bonds

About 7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one

7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one (PubChem CID 102581431) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one.

Molecular Properties

Compound Name7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one
PubChem CID102581431
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one
SMILESO=C1CC2CCCN2c2ccc(F)cc21
InChIInChI=1S/C12H12FNO/c13-8-3-4-11-10(6-8)12(15)7-9-2-1-5-14(9)11/h3-4,6,9H,1-2,5,7H2
InChIKeyASXHQLWHVJOVLZ-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Methylacridone
CID 69751
1-Methyl-4-quinolone
CID 6748
2-Fluoro-6-(pyrrolidin-1-yl)benzaldehyde
CID 3822448
2-fluoro-9(10H)-acridinone
CID 2975401
1-Allylisatin
CID 1713563
1-(propan-2-yl)-2,3-dihydro-1H-indole-2,3-dione
CID 2055049
5-fluoro-1-(2-phenylethyl)-1H-indole-2,3-dione
CID 7678107
10-(6-(diethylamino)hexyl)acridin-9(10H)-one
CID 44566054
5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
CID 2786143
2,3-dihydroquinolin-4(1H)-one
CID 117158
1-(2-amino-4-fluorophenyl)-4-[(10R,15S)-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-trien-12-yl]butan-1-one
CID 44378003
1-(2-aminophenyl)-4-[(10R,15S)-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-trien-12-yl]butan-1-one
CID 44378016

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one?
The IUPAC name of 7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one (CID 102581431) is 7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one.
What is the SMILES notation for 7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one?
The canonical SMILES for 7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one is O=C1CC2CCCN2c2ccc(F)cc21.
What is the InChIKey of 7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one?
The InChIKey is ASXHQLWHVJOVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c13-8-3-4-11-10(6-8)12(15)7-9-2-1-5-14(9)11/h3-4,6,9H,1-2,5,7H2.
What are the key properties of 7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one?
7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one has a molecular weight of 205.23 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one is sourced from PubChem (CID 102581431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).