N-(2-fluoro-3-hept-6-ynoxyphenyl)-N-methylquinoline-6-carboxamide

C24H23FN2O2 — CID 87552866

IUPACN-(2-fluoro-3-hept-6-ynoxyphenyl)-N-methylquinoline-6-carboxamide
SMILESC#CCCCCCOc1cccc(N(C)C(=O)c2ccc3ncccc3c2)c1F
InChIInChI=1S/C24H23FN2O2/c1-3-4-5-6-7-16-29-22-12-8-11-21(23(22)25)27(2)24(28)19-13-14-20-18(17-19)10-9-15-26-20/h1,8-15,17H,4-7,16H2,2H3
InChIKeyRMGLOWSYJPCFSH-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.22
Rot. Bonds8

About N-(2-fluoro-3-hept-6-ynoxyphenyl)-N-methylquinoline-6-carboxamide

N-(2-fluoro-3-hept-6-ynoxyphenyl)-N-methylquinoline-6-carboxamide (PubChem CID 87552866) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(2-fluoro-3-hept-6-ynoxyphenyl)-N-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-3-hept-6-ynoxyphenyl)-N-methylquinoline-6-carboxamide
PubChem CID87552866
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC NameN-(2-fluoro-3-hept-6-ynoxyphenyl)-N-methylquinoline-6-carboxamide
SMILESC#CCCCCCOc1cccc(N(C)C(=O)c2ccc3ncccc3c2)c1F
InChIInChI=1S/C24H23FN2O2/c1-3-4-5-6-7-16-29-22-12-8-11-21(23(22)25)27(2)24(28)19-13-14-20-18(17-19)10-9-15-26-20/h1,8-15,17H,4-7,16H2,2H3
InChIKeyRMGLOWSYJPCFSH-UHFFFAOYSA-N
XLogP5.22
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-3-oct-5-ynoxyphenyl)-N-methylquinoline-6-carboxamide
CID 68731637
N-(2-fluoro-3-hept-3-ynoxyphenyl)-N-methylquinoline-6-carboxamide
CID 68732778
N-(3-hex-5-ynoxyphenyl)-N-methylquinoline-6-carboxamide
CID 87554261
N-(2-fluoro-3-hex-2-enoxyphenyl)-N-methylquinoline-6-carboxamide
CID 68734704
N-(2-fluoro-3-oct-2-enoxyphenyl)-N-methylquinoline-6-carboxamide
CID 68732097
N-(2-fluoro-3-octoxyphenyl)quinoline-6-carboxamide
CID 143859417
N-[(2-fluoro-3-oct-6-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68734840
N-(3-hex-4-ynoxyphenyl)-N-methylquinoline-6-carboxamide
CID 68732695
N-methyl-N-(3-oct-7-enoxyphenyl)quinoline-6-carboxamide
CID 68733496
N-(2-fluoro-3-oct-7-ynoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
CID 151776276
2-(18F)fluoro-3-hex-5-ynoxypyridine
CID 25194435
N-(5-chloropentyl)-N-methylquinoline-6-carboxamide
CID 107205485

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-hept-6-ynoxyphenyl)-N-methylquinoline-6-carboxamide?
The IUPAC name of N-(2-fluoro-3-hept-6-ynoxyphenyl)-N-methylquinoline-6-carboxamide (CID 87552866) is N-(2-fluoro-3-hept-6-ynoxyphenyl)-N-methylquinoline-6-carboxamide.
What is the SMILES notation for N-(2-fluoro-3-hept-6-ynoxyphenyl)-N-methylquinoline-6-carboxamide?
The canonical SMILES for N-(2-fluoro-3-hept-6-ynoxyphenyl)-N-methylquinoline-6-carboxamide is C#CCCCCCOc1cccc(N(C)C(=O)c2ccc3ncccc3c2)c1F.
What is the InChIKey of N-(2-fluoro-3-hept-6-ynoxyphenyl)-N-methylquinoline-6-carboxamide?
The InChIKey is RMGLOWSYJPCFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-3-4-5-6-7-16-29-22-12-8-11-21(23(22)25)27(2)24(28)19-13-14-20-18(17-19)10-9-15-26-20/h1,8-15,17H,4-7,16H2,2H3.
What are the key properties of N-(2-fluoro-3-hept-6-ynoxyphenyl)-N-methylquinoline-6-carboxamide?
N-(2-fluoro-3-hept-6-ynoxyphenyl)-N-methylquinoline-6-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 5.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-hept-6-ynoxyphenyl)-N-methylquinoline-6-carboxamide is sourced from PubChem (CID 87552866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).