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

C25H27FN2O2 — CID 68732097

IUPACN-(2-fluoro-3-oct-2-enoxyphenyl)-N-methylquinoline-6-carboxamide
SMILESCCCCCC=CCOc1cccc(N(C)C(=O)c2ccc3ncccc3c2)c1F
InChIInChI=1S/C25H27FN2O2/c1-3-4-5-6-7-8-17-30-23-13-9-12-22(24(23)26)28(2)25(29)20-14-15-21-19(18-20)11-10-16-27-21/h7-16,18H,3-6,17H2,1-2H3
InChIKeyBDSGVXQLEQPIKP-UHFFFAOYSA-N
MW406.50 g/mol
LogP6.17
Rot. Bonds9

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

N-(2-fluoro-3-oct-2-enoxyphenyl)-N-methylquinoline-6-carboxamide (PubChem CID 68732097) has the molecular formula C25H27FN2O2 and a molecular weight of 406.50 g/mol. Its IUPAC name is N-(2-fluoro-3-oct-2-enoxyphenyl)-N-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-3-oct-2-enoxyphenyl)-N-methylquinoline-6-carboxamide
PubChem CID68732097
Molecular FormulaC25H27FN2O2
Molecular Weight406.50 g/mol
Exact Mass406.21
IUPAC NameN-(2-fluoro-3-oct-2-enoxyphenyl)-N-methylquinoline-6-carboxamide
SMILESCCCCCC=CCOc1cccc(N(C)C(=O)c2ccc3ncccc3c2)c1F
InChIInChI=1S/C25H27FN2O2/c1-3-4-5-6-7-8-17-30-23-13-9-12-22(24(23)26)28(2)25(29)20-14-15-21-19(18-20)11-10-16-27-21/h7-16,18H,3-6,17H2,1-2H3
InChIKeyBDSGVXQLEQPIKP-UHFFFAOYSA-N
XLogP6.17
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.50
LogP ≤ 56.17
H-Bond Donors ≤ 50
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-hex-2-enoxyphenyl)-N-methylquinoline-6-carboxamide
CID 68734704
N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68733437
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-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
2-amino-N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843707
N-[[3-[(E)-oct-5-enoxy]phenyl]methyl]quinoline-6-carboxamide
CID 68781419
N-octylquinoline-6-carboxamide
CID 68863650
N-[(5-butoxy-2-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192103

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-oct-2-enoxyphenyl)-N-methylquinoline-6-carboxamide?
The IUPAC name of N-(2-fluoro-3-oct-2-enoxyphenyl)-N-methylquinoline-6-carboxamide (CID 68732097) is N-(2-fluoro-3-oct-2-enoxyphenyl)-N-methylquinoline-6-carboxamide.
What is the SMILES notation for N-(2-fluoro-3-oct-2-enoxyphenyl)-N-methylquinoline-6-carboxamide?
The canonical SMILES for N-(2-fluoro-3-oct-2-enoxyphenyl)-N-methylquinoline-6-carboxamide is CCCCCC=CCOc1cccc(N(C)C(=O)c2ccc3ncccc3c2)c1F.
What is the InChIKey of N-(2-fluoro-3-oct-2-enoxyphenyl)-N-methylquinoline-6-carboxamide?
The InChIKey is BDSGVXQLEQPIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O2/c1-3-4-5-6-7-8-17-30-23-13-9-12-22(24(23)26)28(2)25(29)20-14-15-21-19(18-20)11-10-16-27-21/h7-16,18H,3-6,17H2,1-2H3.
What are the key properties of N-(2-fluoro-3-oct-2-enoxyphenyl)-N-methylquinoline-6-carboxamide?
N-(2-fluoro-3-oct-2-enoxyphenyl)-N-methylquinoline-6-carboxamide has a molecular weight of 406.50 g/mol, XLogP of 6.17, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-oct-2-enoxyphenyl)-N-methylquinoline-6-carboxamide is sourced from PubChem (CID 68732097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).