N-[(2-fluoro-3-phenoxyphenyl)methyl]quinoline-6-carboxamide

C23H17FN2O2 — CID 59192109

IUPACN-[(2-fluoro-3-phenoxyphenyl)methyl]quinoline-6-carboxamide
SMILESO=C(NCc1cccc(Oc2ccccc2)c1F)c1ccc2ncccc2c1
InChIInChI=1S/C23H17FN2O2/c24-22-18(6-4-10-21(22)28-19-8-2-1-3-9-19)15-26-23(27)17-11-12-20-16(14-17)7-5-13-25-20/h1-14H,15H2,(H,26,27)
InChIKeyPXJWWUDRUKDMOE-UHFFFAOYSA-N
MW372.40 g/mol
LogP5.10
Rot. Bonds5

About N-[(2-fluoro-3-phenoxyphenyl)methyl]quinoline-6-carboxamide

N-[(2-fluoro-3-phenoxyphenyl)methyl]quinoline-6-carboxamide (PubChem CID 59192109) has the molecular formula C23H17FN2O2 and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[(2-fluoro-3-phenoxyphenyl)methyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(2-fluoro-3-phenoxyphenyl)methyl]quinoline-6-carboxamide
PubChem CID59192109
Molecular FormulaC23H17FN2O2
Molecular Weight372.40 g/mol
Exact Mass372.13
IUPAC NameN-[(2-fluoro-3-phenoxyphenyl)methyl]quinoline-6-carboxamide
SMILESO=C(NCc1cccc(Oc2ccccc2)c1F)c1ccc2ncccc2c1
InChIInChI=1S/C23H17FN2O2/c24-22-18(6-4-10-21(22)28-19-8-2-1-3-9-19)15-26-23(27)17-11-12-20-16(14-17)7-5-13-25-20/h1-14H,15H2,(H,26,27)
InChIKeyPXJWWUDRUKDMOE-UHFFFAOYSA-N
XLogP5.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.40
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluoro-3-oct-6-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68734840
N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68733437
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]quinoline-6-carboxamide
CID 56738127
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192187
N-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192099
N-[(2-fluoro-4-hydroxyphenyl)methyl]quinoline-6-carboxamide
CID 59192233
N-[(5-butoxy-2-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192103
N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide
CID 58387946
N-[(5-amino-1H-pyrazol-4-yl)methyl]quinoline-6-carboxamide
CID 79529850
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinoline-6-carboxamide
CID 110911243
N-[[2-fluoro-4-methyl-3-[2-(3-methylphenyl)ethyl]phenyl]methyl]quinoline-6-carboxamide
CID 143959873

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-phenoxyphenyl)methyl]quinoline-6-carboxamide?
The IUPAC name of N-[(2-fluoro-3-phenoxyphenyl)methyl]quinoline-6-carboxamide (CID 59192109) is N-[(2-fluoro-3-phenoxyphenyl)methyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[(2-fluoro-3-phenoxyphenyl)methyl]quinoline-6-carboxamide?
The canonical SMILES for N-[(2-fluoro-3-phenoxyphenyl)methyl]quinoline-6-carboxamide is O=C(NCc1cccc(Oc2ccccc2)c1F)c1ccc2ncccc2c1.
What is the InChIKey of N-[(2-fluoro-3-phenoxyphenyl)methyl]quinoline-6-carboxamide?
The InChIKey is PXJWWUDRUKDMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O2/c24-22-18(6-4-10-21(22)28-19-8-2-1-3-9-19)15-26-23(27)17-11-12-20-16(14-17)7-5-13-25-20/h1-14H,15H2,(H,26,27).
What are the key properties of N-[(2-fluoro-3-phenoxyphenyl)methyl]quinoline-6-carboxamide?
N-[(2-fluoro-3-phenoxyphenyl)methyl]quinoline-6-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-phenoxyphenyl)methyl]quinoline-6-carboxamide is sourced from PubChem (CID 59192109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).