N-(2-fluoro-3-hex-5-enoxyphenyl)-2-methylquinoline-6-carboxamide

C23H23FN2O2 — CID 68732465

IUPACN-(2-fluoro-3-hex-5-enoxyphenyl)-2-methylquinoline-6-carboxamide
SMILESC=CCCCCOc1cccc(NC(=O)c2ccc3nc(C)ccc3c2)c1F
InChIInChI=1S/C23H23FN2O2/c1-3-4-5-6-14-28-21-9-7-8-20(22(21)24)26-23(27)18-12-13-19-17(15-18)11-10-16(2)25-19/h3,7-13,15H,1,4-6,14H2,2H3,(H,26,27)
InChIKeyMCKHUHBBELKMJC-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.67
Rot. Bonds8

About N-(2-fluoro-3-hex-5-enoxyphenyl)-2-methylquinoline-6-carboxamide

N-(2-fluoro-3-hex-5-enoxyphenyl)-2-methylquinoline-6-carboxamide (PubChem CID 68732465) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(2-fluoro-3-hex-5-enoxyphenyl)-2-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-3-hex-5-enoxyphenyl)-2-methylquinoline-6-carboxamide
PubChem CID68732465
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC NameN-(2-fluoro-3-hex-5-enoxyphenyl)-2-methylquinoline-6-carboxamide
SMILESC=CCCCCOc1cccc(NC(=O)c2ccc3nc(C)ccc3c2)c1F
InChIInChI=1S/C23H23FN2O2/c1-3-4-5-6-14-28-21-9-7-8-20(22(21)24)26-23(27)18-12-13-19-17(15-18)11-10-16(2)25-19/h3,7-13,15H,1,4-6,14H2,2H3,(H,26,27)
InChIKeyMCKHUHBBELKMJC-UHFFFAOYSA-N
XLogP5.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 55.67
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'}

Analyze N-(2-fluoro-3-hex-5-enoxyphenyl)-2-methylquinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-fluoro-3-pent-3-ynoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68734401
N-(2-fluoro-3-octoxyphenyl)quinoline-6-carboxamide
CID 143859417
2-amino-N-(2-fluoro-3-hex-5-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide
CID 150214982
N-[2-fluoro-3-(4-methoxybutoxy)phenyl]-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68988013
N-[2-fluoro-3-(3-methoxypropoxy)phenyl]-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68987630
N-(2,4-difluoro-3-pent-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide
CID 150594045
N-(3-hex-4-enoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68733416
N-(2-fluoro-3-hept-5-ynoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68986624
2-amino-N-(3-but-3-enoxy-2-fluorophenyl)-4-methylpyridine-3-carboxamide
CID 174610701
N-(2-fluoro-3-hept-2-enoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68986218
N-(3-hept-2-enoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68733534
N-(3-hept-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68733424

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-hex-5-enoxyphenyl)-2-methylquinoline-6-carboxamide?
The IUPAC name of N-(2-fluoro-3-hex-5-enoxyphenyl)-2-methylquinoline-6-carboxamide (CID 68732465) is N-(2-fluoro-3-hex-5-enoxyphenyl)-2-methylquinoline-6-carboxamide.
What is the SMILES notation for N-(2-fluoro-3-hex-5-enoxyphenyl)-2-methylquinoline-6-carboxamide?
The canonical SMILES for N-(2-fluoro-3-hex-5-enoxyphenyl)-2-methylquinoline-6-carboxamide is C=CCCCCOc1cccc(NC(=O)c2ccc3nc(C)ccc3c2)c1F.
What is the InChIKey of N-(2-fluoro-3-hex-5-enoxyphenyl)-2-methylquinoline-6-carboxamide?
The InChIKey is MCKHUHBBELKMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c1-3-4-5-6-14-28-21-9-7-8-20(22(21)24)26-23(27)18-12-13-19-17(15-18)11-10-16(2)25-19/h3,7-13,15H,1,4-6,14H2,2H3,(H,26,27).
What are the key properties of N-(2-fluoro-3-hex-5-enoxyphenyl)-2-methylquinoline-6-carboxamide?
N-(2-fluoro-3-hex-5-enoxyphenyl)-2-methylquinoline-6-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 5.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-hex-5-enoxyphenyl)-2-methylquinoline-6-carboxamide is sourced from PubChem (CID 68732465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).