N-(2-fluoro-3-octoxyphenyl)quinoline-6-carboxamide

C24H27FN2O2 — CID 143859417

IUPACN-(2-fluoro-3-octoxyphenyl)quinoline-6-carboxamide
SMILESCCCCCCCCOc1cccc(NC(=O)c2ccc3ncccc3c2)c1F
InChIInChI=1S/C24H27FN2O2/c1-2-3-4-5-6-7-16-29-22-12-8-11-21(23(22)25)27-24(28)19-13-14-20-18(17-19)10-9-15-26-20/h8-15,17H,2-7,16H2,1H3,(H,27,28)
InChIKeyDJJJLUMOSFVBCD-UHFFFAOYSA-N
MW394.49 g/mol
LogP6.37
Rot. Bonds10

About N-(2-fluoro-3-octoxyphenyl)quinoline-6-carboxamide

N-(2-fluoro-3-octoxyphenyl)quinoline-6-carboxamide (PubChem CID 143859417) has the molecular formula C24H27FN2O2 and a molecular weight of 394.49 g/mol. Its IUPAC name is N-(2-fluoro-3-octoxyphenyl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-3-octoxyphenyl)quinoline-6-carboxamide
PubChem CID143859417
Molecular FormulaC24H27FN2O2
Molecular Weight394.49 g/mol
Exact Mass394.21
IUPAC NameN-(2-fluoro-3-octoxyphenyl)quinoline-6-carboxamide
SMILESCCCCCCCCOc1cccc(NC(=O)c2ccc3ncccc3c2)c1F
InChIInChI=1S/C24H27FN2O2/c1-2-3-4-5-6-7-16-29-22-12-8-11-21(23(22)25)27-24(28)19-13-14-20-18(17-19)10-9-15-26-20/h8-15,17H,2-7,16H2,1H3,(H,27,28)
InChIKeyDJJJLUMOSFVBCD-UHFFFAOYSA-N
XLogP6.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.49
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-3-hex-5-enoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68732465
N-octylquinoline-6-carboxamide
CID 68863650
N-(2-fluoro-3-propoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
CID 172800246
N-[2-fluoro-3-(4-methoxybutoxy)phenyl]-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68988013
N-[(2-fluoro-3-oct-6-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68734840
N-(2-fluoro-3-pent-3-ynoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68734401
N-(2-fluoro-3-oct-3-enoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
CID 151188175
N-[2-fluoro-3-(3-methoxypropoxy)phenyl]-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68987630
N-(2-fluoro-3-oct-7-ynoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
CID 151776276
N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68733437
4-butoxy-3-methoxy-N-quinolin-8-ylbenzamide
CID 26123508
N-(2-fluoro-3-hept-6-ynoxyphenyl)-N-methylquinoline-6-carboxamide
CID 87552866

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-octoxyphenyl)quinoline-6-carboxamide?
The IUPAC name of N-(2-fluoro-3-octoxyphenyl)quinoline-6-carboxamide (CID 143859417) is N-(2-fluoro-3-octoxyphenyl)quinoline-6-carboxamide.
What is the SMILES notation for N-(2-fluoro-3-octoxyphenyl)quinoline-6-carboxamide?
The canonical SMILES for N-(2-fluoro-3-octoxyphenyl)quinoline-6-carboxamide is CCCCCCCCOc1cccc(NC(=O)c2ccc3ncccc3c2)c1F.
What is the InChIKey of N-(2-fluoro-3-octoxyphenyl)quinoline-6-carboxamide?
The InChIKey is DJJJLUMOSFVBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O2/c1-2-3-4-5-6-7-16-29-22-12-8-11-21(23(22)25)27-24(28)19-13-14-20-18(17-19)10-9-15-26-20/h8-15,17H,2-7,16H2,1H3,(H,27,28).
What are the key properties of N-(2-fluoro-3-octoxyphenyl)quinoline-6-carboxamide?
N-(2-fluoro-3-octoxyphenyl)quinoline-6-carboxamide has a molecular weight of 394.49 g/mol, XLogP of 6.37, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-octoxyphenyl)quinoline-6-carboxamide is sourced from PubChem (CID 143859417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).