8-fluoro-2-[[[(1S)-1-(2-hydroxyphenyl)ethyl]amino]methyl]-1H-quinolin-4-one

C18H17FN2O2 — CID 97143379

IUPAC8-fluoro-2-[[[(1S)-1-(2-hydroxyphenyl)ethyl]amino]methyl]-1H-quinolin-4-one
SMILESC[C@H](NCc1cc(=O)c2cccc(F)c2[nH]1)c1ccccc1O
InChIInChI=1S/C18H17FN2O2/c1-11(13-5-2-3-8-16(13)22)20-10-12-9-17(23)14-6-4-7-15(19)18(14)21-12/h2-9,11,20,22H,10H2,1H3,(H,21,23)/t11-/m0/s1
InChIKeyIXTWHECEUIEKRT-NSHDSACASA-N
MW312.34 g/mol
LogP3.22
Rot. Bonds4

About 8-fluoro-2-[[[(1S)-1-(2-hydroxyphenyl)ethyl]amino]methyl]-1H-quinolin-4-one

8-fluoro-2-[[[(1S)-1-(2-hydroxyphenyl)ethyl]amino]methyl]-1H-quinolin-4-one (PubChem CID 97143379) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 8-fluoro-2-[[[(1S)-1-(2-hydroxyphenyl)ethyl]amino]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name8-fluoro-2-[[[(1S)-1-(2-hydroxyphenyl)ethyl]amino]methyl]-1H-quinolin-4-one
PubChem CID97143379
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name8-fluoro-2-[[[(1S)-1-(2-hydroxyphenyl)ethyl]amino]methyl]-1H-quinolin-4-one
SMILESC[C@H](NCc1cc(=O)c2cccc(F)c2[nH]1)c1ccccc1O
InChIInChI=1S/C18H17FN2O2/c1-11(13-5-2-3-8-16(13)22)20-10-12-9-17(23)14-6-4-7-15(19)18(14)21-12/h2-9,11,20,22H,10H2,1H3,(H,21,23)/t11-/m0/s1
InChIKeyIXTWHECEUIEKRT-NSHDSACASA-N
XLogP3.22
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 8-fluoro-2-[[[(1S)-1-(2-hydroxyphenyl)ethyl]amino]methyl]-1H-quinolin-4-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

2-[[1-(2-ethyl-1,2,4-triazol-3-yl)ethylamino]methyl]-8-fluoro-1H-quinolin-4-one
CID 72930117
8-fluoro-2-[[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]methyl]-1H-quinolin-4-one
CID 97120313
8-fluoro-2-propyl-1H-quinolin-4-one
CID 39346190
4-[[1-(2-hydroxyphenyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181361
8-fluoro-2-[[[(1S)-1-(1-methylpyrazol-4-yl)propyl]amino]methyl]-1H-quinolin-4-one
CID 97149581
8-fluoro-2-[[[(3S)-1-phenylpyrrolidin-3-yl]methylamino]methyl]-1H-quinolin-4-one
CID 97156066
4-[[1-(2-fluorophenyl)ethylamino]methyl]benzene-1,2-diol
CID 60664100
2-[(1S)-1-[2-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]anilino]ethyl]phenol
CID 71049454
1-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-N-methylpiperidine-2-carboxamide
CID 91828547
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659047
8-fluoro-2-(4-hydroxyphenyl)-1H-quinolin-4-one
CID 66650720
2-[1-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]phenol
CID 43192351

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-[[[(1S)-1-(2-hydroxyphenyl)ethyl]amino]methyl]-1H-quinolin-4-one?
The IUPAC name of 8-fluoro-2-[[[(1S)-1-(2-hydroxyphenyl)ethyl]amino]methyl]-1H-quinolin-4-one (CID 97143379) is 8-fluoro-2-[[[(1S)-1-(2-hydroxyphenyl)ethyl]amino]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 8-fluoro-2-[[[(1S)-1-(2-hydroxyphenyl)ethyl]amino]methyl]-1H-quinolin-4-one?
The canonical SMILES for 8-fluoro-2-[[[(1S)-1-(2-hydroxyphenyl)ethyl]amino]methyl]-1H-quinolin-4-one is C[C@H](NCc1cc(=O)c2cccc(F)c2[nH]1)c1ccccc1O.
What is the InChIKey of 8-fluoro-2-[[[(1S)-1-(2-hydroxyphenyl)ethyl]amino]methyl]-1H-quinolin-4-one?
The InChIKey is IXTWHECEUIEKRT-NSHDSACASA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-11(13-5-2-3-8-16(13)22)20-10-12-9-17(23)14-6-4-7-15(19)18(14)21-12/h2-9,11,20,22H,10H2,1H3,(H,21,23)/t11-/m0/s1.
What are the key properties of 8-fluoro-2-[[[(1S)-1-(2-hydroxyphenyl)ethyl]amino]methyl]-1H-quinolin-4-one?
8-fluoro-2-[[[(1S)-1-(2-hydroxyphenyl)ethyl]amino]methyl]-1H-quinolin-4-one has a molecular weight of 312.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-[[[(1S)-1-(2-hydroxyphenyl)ethyl]amino]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 97143379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).