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

C22H19FN2O2 — CID 68734401

IUPACN-(2-fluoro-3-pent-3-ynoxyphenyl)-2-methylquinoline-6-carboxamide
SMILESCC#CCCOc1cccc(NC(=O)c2ccc3nc(C)ccc3c2)c1F
InChIInChI=1S/C22H19FN2O2/c1-3-4-5-13-27-20-8-6-7-19(21(20)23)25-22(26)17-11-12-18-16(14-17)10-9-15(2)24-18/h6-12,14H,5,13H2,1-2H3,(H,25,26)
InChIKeyXEMWMUXWXATTPE-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.73
Rot. Bonds5

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

N-(2-fluoro-3-pent-3-ynoxyphenyl)-2-methylquinoline-6-carboxamide (PubChem CID 68734401) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is N-(2-fluoro-3-pent-3-ynoxyphenyl)-2-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-3-pent-3-ynoxyphenyl)-2-methylquinoline-6-carboxamide
PubChem CID68734401
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC NameN-(2-fluoro-3-pent-3-ynoxyphenyl)-2-methylquinoline-6-carboxamide
SMILESCC#CCCOc1cccc(NC(=O)c2ccc3nc(C)ccc3c2)c1F
InChIInChI=1S/C22H19FN2O2/c1-3-4-5-13-27-20-8-6-7-19(21(20)23)25-22(26)17-11-12-18-16(14-17)10-9-15(2)24-18/h6-12,14H,5,13H2,1-2H3,(H,25,26)
InChIKeyXEMWMUXWXATTPE-UHFFFAOYSA-N
XLogP4.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.73
H-Bond Donors ≤ 51
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-hex-5-enoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68732465
N-(2-fluoro-3-hept-5-ynoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68986624
N-(2-fluoro-3-octoxyphenyl)quinoline-6-carboxamide
CID 143859417
N-(2,4-difluoro-3-pent-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide
CID 150594045
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-(3-hept-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68733424
N-(3-hex-4-enoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68733416
2-amino-N-(3-but-2-ynoxy-2-fluorophenyl)-6-fluoro-5-methylpyridine-3-carboxamide
CID 150972391
3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide
CID 2996969
N-(2-fluoro-3-oct-7-ynoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
CID 151776276
N-(2-fluoro-3-propoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
CID 172800246

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-pent-3-ynoxyphenyl)-2-methylquinoline-6-carboxamide?
The IUPAC name of N-(2-fluoro-3-pent-3-ynoxyphenyl)-2-methylquinoline-6-carboxamide (CID 68734401) is N-(2-fluoro-3-pent-3-ynoxyphenyl)-2-methylquinoline-6-carboxamide.
What is the SMILES notation for N-(2-fluoro-3-pent-3-ynoxyphenyl)-2-methylquinoline-6-carboxamide?
The canonical SMILES for N-(2-fluoro-3-pent-3-ynoxyphenyl)-2-methylquinoline-6-carboxamide is CC#CCCOc1cccc(NC(=O)c2ccc3nc(C)ccc3c2)c1F.
What is the InChIKey of N-(2-fluoro-3-pent-3-ynoxyphenyl)-2-methylquinoline-6-carboxamide?
The InChIKey is XEMWMUXWXATTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2/c1-3-4-5-13-27-20-8-6-7-19(21(20)23)25-22(26)17-11-12-18-16(14-17)10-9-15(2)24-18/h6-12,14H,5,13H2,1-2H3,(H,25,26).
What are the key properties of N-(2-fluoro-3-pent-3-ynoxyphenyl)-2-methylquinoline-6-carboxamide?
N-(2-fluoro-3-pent-3-ynoxyphenyl)-2-methylquinoline-6-carboxamide has a molecular weight of 362.40 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-pent-3-ynoxyphenyl)-2-methylquinoline-6-carboxamide is sourced from PubChem (CID 68734401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).