6-fluoro-N-(3-methoxypropyl)-2-methylquinoline-4-carboxamide

C15H17FN2O2 — CID 2210580

IUPAC6-fluoro-N-(3-methoxypropyl)-2-methylquinoline-4-carboxamide
SMILESCOCCCNC(=O)c1cc(C)nc2ccc(F)cc12
InChIInChI=1S/C15H17FN2O2/c1-10-8-13(15(19)17-6-3-7-20-2)12-9-11(16)4-5-14(12)18-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,19)
InChIKeyCFAUPXWUKYQOFX-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.45
Rot. Bonds5

About 6-fluoro-N-(3-methoxypropyl)-2-methylquinoline-4-carboxamide

6-fluoro-N-(3-methoxypropyl)-2-methylquinoline-4-carboxamide (PubChem CID 2210580) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 6-fluoro-N-(3-methoxypropyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(3-methoxypropyl)-2-methylquinoline-4-carboxamide
PubChem CID2210580
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name6-fluoro-N-(3-methoxypropyl)-2-methylquinoline-4-carboxamide
SMILESCOCCCNC(=O)c1cc(C)nc2ccc(F)cc12
InChIInChI=1S/C15H17FN2O2/c1-10-8-13(15(19)17-6-3-7-20-2)12-9-11(16)4-5-14(12)18-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,19)
InChIKeyCFAUPXWUKYQOFX-UHFFFAOYSA-N
XLogP2.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.45
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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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-methoxypropyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of 6-fluoro-N-(3-methoxypropyl)-2-methylquinoline-4-carboxamide (CID 2210580) is 6-fluoro-N-(3-methoxypropyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-(3-methoxypropyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-N-(3-methoxypropyl)-2-methylquinoline-4-carboxamide is COCCCNC(=O)c1cc(C)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-N-(3-methoxypropyl)-2-methylquinoline-4-carboxamide?
The InChIKey is CFAUPXWUKYQOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10-8-13(15(19)17-6-3-7-20-2)12-9-11(16)4-5-14(12)18-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,19).
What are the key properties of 6-fluoro-N-(3-methoxypropyl)-2-methylquinoline-4-carboxamide?
6-fluoro-N-(3-methoxypropyl)-2-methylquinoline-4-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-methoxypropyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 2210580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).