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

C24H25FN2O2 — CID 68733437

IUPACN-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]quinoline-6-carboxamide
SMILESCCCCC=CCOc1cccc(CNC(=O)c2ccc3ncccc3c2)c1F
InChIInChI=1S/C24H25FN2O2/c1-2-3-4-5-6-15-29-22-11-7-9-20(23(22)25)17-27-24(28)19-12-13-21-18(16-19)10-8-14-26-21/h5-14,16H,2-4,15,17H2,1H3,(H,27,28)
InChIKeyJQOMFVQRZTXXAQ-UHFFFAOYSA-N
MW392.47 g/mol
LogP5.43
Rot. Bonds9

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

N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]quinoline-6-carboxamide (PubChem CID 68733437) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]quinoline-6-carboxamide
PubChem CID68733437
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC NameN-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]quinoline-6-carboxamide
SMILESCCCCC=CCOc1cccc(CNC(=O)c2ccc3ncccc3c2)c1F
InChIInChI=1S/C24H25FN2O2/c1-2-3-4-5-6-15-29-22-11-7-9-20(23(22)25)17-27-24(28)19-12-13-21-18(16-19)10-8-14-26-21/h5-14,16H,2-4,15,17H2,1H3,(H,27,28)
InChIKeyJQOMFVQRZTXXAQ-UHFFFAOYSA-N
XLogP5.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.47
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(2-fluoro-3-oct-6-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68734840
N-(2-fluoro-3-oct-2-enoxyphenyl)-N-methylquinoline-6-carboxamide
CID 68732097
2-amino-N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843707
N-[(2-fluoro-3-phenoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192109
N-(2-fluoro-3-hex-2-enoxyphenyl)-N-methylquinoline-6-carboxamide
CID 68734704
N-[(5-butoxy-2-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192103
N-[(2-fluoro-3-oct-4-enoxyphenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 91598374
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]quinoline-6-carboxamide
CID 56738127
N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-1,5-naphthyridine-2-carboxamide
CID 143837278
N-(2-fluoro-3-octoxyphenyl)quinoline-6-carboxamide
CID 143859417
N-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192099
N-[[3-[(E)-oct-5-enoxy]phenyl]methyl]quinoline-6-carboxamide
CID 68781419

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]quinoline-6-carboxamide?
The IUPAC name of N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]quinoline-6-carboxamide (CID 68733437) is N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]quinoline-6-carboxamide?
The canonical SMILES for N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]quinoline-6-carboxamide is CCCCC=CCOc1cccc(CNC(=O)c2ccc3ncccc3c2)c1F.
What is the InChIKey of N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]quinoline-6-carboxamide?
The InChIKey is JQOMFVQRZTXXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c1-2-3-4-5-6-15-29-22-11-7-9-20(23(22)25)17-27-24(28)19-12-13-21-18(16-19)10-8-14-26-21/h5-14,16H,2-4,15,17H2,1H3,(H,27,28).
What are the key properties of N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]quinoline-6-carboxamide?
N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]quinoline-6-carboxamide has a molecular weight of 392.47 g/mol, XLogP of 5.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]quinoline-6-carboxamide is sourced from PubChem (CID 68733437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).