N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]quinoline-2-carboxamide

C18H14F2N2O2 — CID 38511415

IUPACN-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]quinoline-2-carboxamide
SMILESO=C(NC[C@@H](O)c1ccc(F)c(F)c1)c1ccc2ccccc2n1
InChIInChI=1S/C18H14F2N2O2/c19-13-7-5-12(9-14(13)20)17(23)10-21-18(24)16-8-6-11-3-1-2-4-15(11)22-16/h1-9,17,23H,10H2,(H,21,24)/t17-/m1/s1
InChIKeyZXCAPTGNBZKTJJ-QGZVFWFLSA-N
MW328.32 g/mol
LogP2.98
Rot. Bonds4

About N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]quinoline-2-carboxamide

N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]quinoline-2-carboxamide (PubChem CID 38511415) has the molecular formula C18H14F2N2O2 and a molecular weight of 328.32 g/mol. Its IUPAC name is N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]quinoline-2-carboxamide
PubChem CID38511415
Molecular FormulaC18H14F2N2O2
Molecular Weight328.32 g/mol
Exact Mass328.10
IUPAC NameN-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]quinoline-2-carboxamide
SMILESO=C(NC[C@@H](O)c1ccc(F)c(F)c1)c1ccc2ccccc2n1
InChIInChI=1S/C18H14F2N2O2/c19-13-7-5-12(9-14(13)20)17(23)10-21-18(24)16-8-6-11-3-1-2-4-15(11)22-16/h1-9,17,23H,10H2,(H,21,24)/t17-/m1/s1
InChIKeyZXCAPTGNBZKTJJ-QGZVFWFLSA-N
XLogP2.98
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]quinoline-2-carboxamide 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-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]isoquinoline-1-carboxamide
CID 94824692
N-(2-phenylbutyl)quinoline-2-carboxamide
CID 46635493
N-(4-amino-2-methylbutyl)quinoline-2-carboxamide
CID 66089499
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-nitrobenzamide
CID 55652813
N-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide
CID 71822257
N-(2-chlorobutyl)quinoline-2-carboxamide
CID 113492870
N-(2-oxoethyl)quinoline-2-carboxamide
CID 134322736
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
N-(4-chloro-2-methylbutyl)quinoline-2-carboxamide
CID 114306159
N-[(2-bromo-5-fluorophenyl)methyl]quinoline-2-carboxamide
CID 60535331
N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)thiophene-2-carboxamide
CID 38504188

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]quinoline-2-carboxamide?
The IUPAC name of N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]quinoline-2-carboxamide (CID 38511415) is N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]quinoline-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]quinoline-2-carboxamide is O=C(NC[C@@H](O)c1ccc(F)c(F)c1)c1ccc2ccccc2n1.
What is the InChIKey of N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]quinoline-2-carboxamide?
The InChIKey is ZXCAPTGNBZKTJJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H14F2N2O2/c19-13-7-5-12(9-14(13)20)17(23)10-21-18(24)16-8-6-11-3-1-2-4-15(11)22-16/h1-9,17,23H,10H2,(H,21,24)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]quinoline-2-carboxamide?
N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]quinoline-2-carboxamide has a molecular weight of 328.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]quinoline-2-carboxamide is sourced from PubChem (CID 38511415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).