3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(quinoxalin-6-ylmethyl)indol-2-one

C19H15F2N3O2 — CID 121361824

IUPAC3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(quinoxalin-6-ylmethyl)indol-2-one
SMILESC[C@H](O)c1cccc2c1C(F)(F)C(=O)N2Cc1ccc2nccnc2c1
InChIInChI=1S/C19H15F2N3O2/c1-11(25)13-3-2-4-16-17(13)19(20,21)18(26)24(16)10-12-5-6-14-15(9-12)23-8-7-22-14/h2-9,11,25H,10H2,1H3/t11-/m0/s1
InChIKeyQXLJWWDCGTXCJN-NSHDSACASA-N
MW355.34 g/mol
LogP3.32
Rot. Bonds3

About 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(quinoxalin-6-ylmethyl)indol-2-one

3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(quinoxalin-6-ylmethyl)indol-2-one (PubChem CID 121361824) has the molecular formula C19H15F2N3O2 and a molecular weight of 355.34 g/mol. Its IUPAC name is 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(quinoxalin-6-ylmethyl)indol-2-one.

Molecular Properties

Compound Name3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(quinoxalin-6-ylmethyl)indol-2-one
PubChem CID121361824
Molecular FormulaC19H15F2N3O2
Molecular Weight355.34 g/mol
Exact Mass355.11
IUPAC Name3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(quinoxalin-6-ylmethyl)indol-2-one
SMILESC[C@H](O)c1cccc2c1C(F)(F)C(=O)N2Cc1ccc2nccnc2c1
InChIInChI=1S/C19H15F2N3O2/c1-11(25)13-3-2-4-16-17(13)19(20,21)18(26)24(16)10-12-5-6-14-15(9-12)23-8-7-22-14/h2-9,11,25H,10H2,1H3/t11-/m0/s1
InChIKeyQXLJWWDCGTXCJN-NSHDSACASA-N
XLogP3.32
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(quinoxalin-6-ylmethyl)indol-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

N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]-2-(1H-indol-3-yl)acetamide
CID 177662457
7-[(4-Fluorophenyl)methyl]-6-hydroxy-5,6,9-trimethylpyrrolo[3,4-g]quinolin-8-one
CID 58928939
7-[(4-Fluorophenyl)methyl]-6-hydroxy-5,9-dimethyl-6-prop-2-enylpyrrolo[3,4-g]quinolin-8-one
CID 58929016
2-[1-[2-(2-fluorophenyl)-1,5-naphthyridin-3-yl]ethyl]-3-hydroxy-3H-isoindol-1-one
CID 68324807
4-({3,3,7-Trifluoro-4-[(1S)-1-hydroxyethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}methyl)pyridine-2-carbonitrile
CID 117837044
2-({3,3-Difluoro-4-[(1S)-1-hydroxyethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}methyl)pyridine-4-carbonitrile
CID 117837104
1-[(6-chloropyridin-3-yl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
CID 121361823
1-[(6-cyclopropylpyridin-3-yl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
CID 121361825
1-[(3,5-dichloropyridin-2-yl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
CID 121361827
1-[[5-chloro-4-(trifluoromethyl)pyridin-2-yl]methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
CID 121361835
3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-[[2-(trifluoromethyl)pyridin-4-yl]methyl]indol-2-one
CID 121361837
1-[(2-chloropyridin-4-yl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1,3-dihydro-2H-indol-2-one
CID 121361838

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(quinoxalin-6-ylmethyl)indol-2-one?
The IUPAC name of 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(quinoxalin-6-ylmethyl)indol-2-one (CID 121361824) is 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(quinoxalin-6-ylmethyl)indol-2-one.
What is the SMILES notation for 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(quinoxalin-6-ylmethyl)indol-2-one?
The canonical SMILES for 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(quinoxalin-6-ylmethyl)indol-2-one is C[C@H](O)c1cccc2c1C(F)(F)C(=O)N2Cc1ccc2nccnc2c1.
What is the InChIKey of 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(quinoxalin-6-ylmethyl)indol-2-one?
The InChIKey is QXLJWWDCGTXCJN-NSHDSACASA-N. The full InChI is InChI=1S/C19H15F2N3O2/c1-11(25)13-3-2-4-16-17(13)19(20,21)18(26)24(16)10-12-5-6-14-15(9-12)23-8-7-22-14/h2-9,11,25H,10H2,1H3/t11-/m0/s1.
What are the key properties of 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(quinoxalin-6-ylmethyl)indol-2-one?
3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(quinoxalin-6-ylmethyl)indol-2-one has a molecular weight of 355.34 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(quinoxalin-6-ylmethyl)indol-2-one is sourced from PubChem (CID 121361824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).