N-(2-fluoro-3-hex-2-enoxyphenyl)-N-methylquinoline-6-carboxamide

C23H23FN2O2 — CID 68734704

IUPACN-(2-fluoro-3-hex-2-enoxyphenyl)-N-methylquinoline-6-carboxamide
SMILESCCCC=CCOc1cccc(N(C)C(=O)c2ccc3ncccc3c2)c1F
InChIInChI=1S/C23H23FN2O2/c1-3-4-5-6-15-28-21-11-7-10-20(22(21)24)26(2)23(27)18-12-13-19-17(16-18)9-8-14-25-19/h5-14,16H,3-4,15H2,1-2H3
InChIKeyOUOYKCXLPJMONK-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.39
Rot. Bonds7

About N-(2-fluoro-3-hex-2-enoxyphenyl)-N-methylquinoline-6-carboxamide

N-(2-fluoro-3-hex-2-enoxyphenyl)-N-methylquinoline-6-carboxamide (PubChem CID 68734704) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(2-fluoro-3-hex-2-enoxyphenyl)-N-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-3-hex-2-enoxyphenyl)-N-methylquinoline-6-carboxamide
PubChem CID68734704
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC NameN-(2-fluoro-3-hex-2-enoxyphenyl)-N-methylquinoline-6-carboxamide
SMILESCCCC=CCOc1cccc(N(C)C(=O)c2ccc3ncccc3c2)c1F
InChIInChI=1S/C23H23FN2O2/c1-3-4-5-6-15-28-21-11-7-10-20(22(21)24)26(2)23(27)18-12-13-19-17(16-18)9-8-14-25-19/h5-14,16H,3-4,15H2,1-2H3
InChIKeyOUOYKCXLPJMONK-UHFFFAOYSA-N
XLogP5.39
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-3-oct-2-enoxyphenyl)-N-methylquinoline-6-carboxamide
CID 68732097
N-(2-fluoro-3-hept-3-ynoxyphenyl)-N-methylquinoline-6-carboxamide
CID 68732778
N-(2-fluoro-3-oct-5-ynoxyphenyl)-N-methylquinoline-6-carboxamide
CID 68731637
N-(2-fluoro-3-hept-6-ynoxyphenyl)-N-methylquinoline-6-carboxamide
CID 87552866
N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68733437
N-[(2-fluoro-3-oct-6-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68734840
N-(2-fluoro-3-octoxyphenyl)quinoline-6-carboxamide
CID 143859417
N-methyl-N-(3-oct-7-enoxyphenyl)quinoline-6-carboxamide
CID 68733496
N-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192099
N-(2-bromoethyl)-N-methylquinoline-6-carboxamide
CID 80658342
2-[ethyl(quinoline-6-carbonyl)amino]acetic acid
CID 62849704
N-[(2-fluoro-3-phenoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192109

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-hex-2-enoxyphenyl)-N-methylquinoline-6-carboxamide?
The IUPAC name of N-(2-fluoro-3-hex-2-enoxyphenyl)-N-methylquinoline-6-carboxamide (CID 68734704) is N-(2-fluoro-3-hex-2-enoxyphenyl)-N-methylquinoline-6-carboxamide.
What is the SMILES notation for N-(2-fluoro-3-hex-2-enoxyphenyl)-N-methylquinoline-6-carboxamide?
The canonical SMILES for N-(2-fluoro-3-hex-2-enoxyphenyl)-N-methylquinoline-6-carboxamide is CCCC=CCOc1cccc(N(C)C(=O)c2ccc3ncccc3c2)c1F.
What is the InChIKey of N-(2-fluoro-3-hex-2-enoxyphenyl)-N-methylquinoline-6-carboxamide?
The InChIKey is OUOYKCXLPJMONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c1-3-4-5-6-15-28-21-11-7-10-20(22(21)24)26(2)23(27)18-12-13-19-17(16-18)9-8-14-25-19/h5-14,16H,3-4,15H2,1-2H3.
What are the key properties of N-(2-fluoro-3-hex-2-enoxyphenyl)-N-methylquinoline-6-carboxamide?
N-(2-fluoro-3-hex-2-enoxyphenyl)-N-methylquinoline-6-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-hex-2-enoxyphenyl)-N-methylquinoline-6-carboxamide is sourced from PubChem (CID 68734704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).