6-fluoro-N-pentylquinoline-2-carboxamide

C15H17FN2O — CID 110486389

IUPAC6-fluoro-N-pentylquinoline-2-carboxamide
SMILESCCCCCNC(=O)c1ccc2cc(F)ccc2n1
InChIInChI=1S/C15H17FN2O/c1-2-3-4-9-17-15(19)14-7-5-11-10-12(16)6-8-13(11)18-14/h5-8,10H,2-4,9H2,1H3,(H,17,19)
InChIKeyNJMSCQKYUYAIAK-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.29
Rot. Bonds5

About 6-fluoro-N-pentylquinoline-2-carboxamide

6-fluoro-N-pentylquinoline-2-carboxamide (PubChem CID 110486389) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 6-fluoro-N-pentylquinoline-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-pentylquinoline-2-carboxamide
PubChem CID110486389
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name6-fluoro-N-pentylquinoline-2-carboxamide
SMILESCCCCCNC(=O)c1ccc2cc(F)ccc2n1
InChIInChI=1S/C15H17FN2O/c1-2-3-4-9-17-15(19)14-7-5-11-10-12(16)6-8-13(11)18-14/h5-8,10H,2-4,9H2,1H3,(H,17,19)
InChIKeyNJMSCQKYUYAIAK-UHFFFAOYSA-N
XLogP3.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-6-fluoroquinoline-2-carboxamide
CID 110464430
methyl 2-[(6-fluoroquinoline-2-carbonyl)amino]acetate
CID 110464431
8-fluoro-N-hexylquinoline-2-carboxamide
CID 110485324
6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
5-(3-fluoroanilino)-N-pentylpyridine-2-carboxamide
CID 109195788
2,5-difluoro-N-undecylbenzamide
CID 91717430
3-fluoro-N-octadecylbenzamide
CID 91711883
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
8-hydroxy-N-octadecylquinoline-2-carboxamide
CID 101042875
N-[2-(dipropylamino)ethyl]-6-iodoquinoline-2-carboxamide
CID 59228679

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-pentylquinoline-2-carboxamide?
The IUPAC name of 6-fluoro-N-pentylquinoline-2-carboxamide (CID 110486389) is 6-fluoro-N-pentylquinoline-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-pentylquinoline-2-carboxamide?
The canonical SMILES for 6-fluoro-N-pentylquinoline-2-carboxamide is CCCCCNC(=O)c1ccc2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-N-pentylquinoline-2-carboxamide?
The InChIKey is NJMSCQKYUYAIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-2-3-4-9-17-15(19)14-7-5-11-10-12(16)6-8-13(11)18-14/h5-8,10H,2-4,9H2,1H3,(H,17,19).
What are the key properties of 6-fluoro-N-pentylquinoline-2-carboxamide?
6-fluoro-N-pentylquinoline-2-carboxamide has a molecular weight of 260.31 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-pentylquinoline-2-carboxamide is sourced from PubChem (CID 110486389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).