7-pyrrolidin-1-yl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one

C14H15F3N2O — CID 159459013

IUPAC7-pyrrolidin-1-yl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one
SMILESO=C1C=C(C(F)(F)F)C2C=CC(N3CCCC3)=CC2N1
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)11-8-13(20)18-12-7-9(3-4-10(11)12)19-5-1-2-6-19/h3-4,7-8,10,12H,1-2,5-6H2,(H,18,20)
InChIKeyLUIRLXWOLWKGRW-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.14
Rot. Bonds1

About 7-pyrrolidin-1-yl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one

7-pyrrolidin-1-yl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one (PubChem CID 159459013) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 7-pyrrolidin-1-yl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-pyrrolidin-1-yl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one
PubChem CID159459013
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name7-pyrrolidin-1-yl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one
SMILESO=C1C=C(C(F)(F)F)C2C=CC(N3CCCC3)=CC2N1
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)11-8-13(20)18-12-7-9(3-4-10(11)12)19-5-1-2-6-19/h3-4,7-8,10,12H,1-2,5-6H2,(H,18,20)
InChIKeyLUIRLXWOLWKGRW-UHFFFAOYSA-N
XLogP2.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-pyrrolidin-1-yl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-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

7-(dimethylamino)-3,4-dimethyl-4a,8a-dihydro-1H-quinolin-2-one
CID 176468600
2,2-Dimethyl-6-(trifluoromethyl)-1,5a,9,9a-tetrahydropyrido[3,2-g]quinolin-8-one
CID 44427287
7-Fluoro-2,2-dimethyl-6-(trifluoromethyl)-1,5a,9,9a-tetrahydropyrido[3,2-g]quinolin-8-one
CID 59454122
4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one
CID 70793379
6-methyl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one
CID 70849046
1-Methyl-7-(methylamino)-4-(trifluoromethyl)-7,8-dihydroquinolin-2-one
CID 123731183
2-Iodo-2-methyl-6-(trifluoromethyl)-1,5a,9,9a-tetrahydropyrido[3,2-g]quinolin-8-one
CID 144046408
5-(4,4-difluoropyrrolidin-3-yl)-1H-pyridin-2-one
CID 163237837
4-[(3S,4R)-4-isocyano-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]-1H-pyridin-2-one
CID 176805589
2-[1-[(1R,4S)-4-aminocyclopent-2-en-1-yl]ethenyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 143085678
5-pyrrolidin-1-yl-2H-isoquinolin-3-one
CID 168513301
6-pyrrolidin-1-yl-2H-isoquinolin-3-one
CID 168513599

Frequently Asked Questions

What is the IUPAC name of 7-pyrrolidin-1-yl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-pyrrolidin-1-yl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one (CID 159459013) is 7-pyrrolidin-1-yl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-pyrrolidin-1-yl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-pyrrolidin-1-yl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one is O=C1C=C(C(F)(F)F)C2C=CC(N3CCCC3)=CC2N1.
What is the InChIKey of 7-pyrrolidin-1-yl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one?
The InChIKey is LUIRLXWOLWKGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c15-14(16,17)11-8-13(20)18-12-7-9(3-4-10(11)12)19-5-1-2-6-19/h3-4,7-8,10,12H,1-2,5-6H2,(H,18,20).
What are the key properties of 7-pyrrolidin-1-yl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one?
7-pyrrolidin-1-yl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one has a molecular weight of 284.28 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrrolidin-1-yl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 159459013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).