3-[[[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]-1H-quinolin-2-one

C18H16F2N2O2 — CID 95325909

IUPAC3-[[[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CNC[C@H](O)c1ccc(F)cc1F
InChIInChI=1S/C18H16F2N2O2/c19-13-5-6-14(15(20)8-13)17(23)10-21-9-12-7-11-3-1-2-4-16(11)22-18(12)24/h1-8,17,21,23H,9-10H2,(H,22,24)/t17-/m0/s1
InChIKeyPOJLSDJIUXVBDQ-KRWDZBQOSA-N
MW330.33 g/mol
LogP2.63
Rot. Bonds5

About 3-[[[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]-1H-quinolin-2-one

3-[[[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 95325909) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is 3-[[[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]-1H-quinolin-2-one
PubChem CID95325909
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC Name3-[[[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CNC[C@H](O)c1ccc(F)cc1F
InChIInChI=1S/C18H16F2N2O2/c19-13-5-6-14(15(20)8-13)17(23)10-21-9-12-7-11-3-1-2-4-16(11)22-18(12)24/h1-8,17,21,23H,9-10H2,(H,22,24)/t17-/m0/s1
InChIKeyPOJLSDJIUXVBDQ-KRWDZBQOSA-N
XLogP2.63
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

3-Quinolinecarboxamide, 1,2-dihydro-N-hexyl-4-hydroxy-2-oxo-
CID 54677800
N-(1-Benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl)glycine
CID 54685215
N-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54680441
1-Butyl-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,2-dihydro-3-quinolinecarboxamide
CID 54683118
1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid phenethyl-amide
CID 54682638
1-ethyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54684065
4-Hydroxy-1-methyl-2-oxo-N-(2-phenylethyl)-1,2-dihydroquinoline-3-carboxamide
CID 54680142
3-Quinolinecarboxamide, 1,2-dihydro-N-cyclohexyl-4-hydroxy-2-oxo-
CID 54680105
4-Hydroxy-N-(3-methylphenyl)-2-oxo-1-pentyl-1,2-dihydro-3-quinolinecarboxamide
CID 54678423
4-hydroxy-1-methyl-2-oxo-N-phenyl-1,2-dihydroquinoline-3-carboxamide
CID 54676449
N-methyl-N-phenyl-1,2-dihydro-4-hydroxy-2-oxo-quinoline-3-carboxamide
CID 54682853
N-benzyl-1-butyl-2-hydroxy-4-oxoquinoline-3-carboxamide
CID 54687815

Frequently Asked Questions

What is the IUPAC name of 3-[[[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]-1H-quinolin-2-one (CID 95325909) is 3-[[[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1CNC[C@H](O)c1ccc(F)cc1F.
What is the InChIKey of 3-[[[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is POJLSDJIUXVBDQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16F2N2O2/c19-13-5-6-14(15(20)8-13)17(23)10-21-9-12-7-11-3-1-2-4-16(11)22-18(12)24/h1-8,17,21,23H,9-10H2,(H,22,24)/t17-/m0/s1.
What are the key properties of 3-[[[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]-1H-quinolin-2-one?
3-[[[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 330.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 95325909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).