6-fluoro-N-[3-(2-fluorophenoxy)propyl]-2-methylquinoline-3-carboxamide

C20H18F2N2O2 — CID 46975779

IUPAC6-fluoro-N-[3-(2-fluorophenoxy)propyl]-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccc(F)cc2cc1C(=O)NCCCOc1ccccc1F
InChIInChI=1S/C20H18F2N2O2/c1-13-16(12-14-11-15(21)7-8-18(14)24-13)20(25)23-9-4-10-26-19-6-3-2-5-17(19)22/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,23,25)
InChIKeySONZKGWLXZYRAO-UHFFFAOYSA-N
MW356.37 g/mol
LogP4.02
Rot. Bonds6

About 6-fluoro-N-[3-(2-fluorophenoxy)propyl]-2-methylquinoline-3-carboxamide

6-fluoro-N-[3-(2-fluorophenoxy)propyl]-2-methylquinoline-3-carboxamide (PubChem CID 46975779) has the molecular formula C20H18F2N2O2 and a molecular weight of 356.37 g/mol. Its IUPAC name is 6-fluoro-N-[3-(2-fluorophenoxy)propyl]-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[3-(2-fluorophenoxy)propyl]-2-methylquinoline-3-carboxamide
PubChem CID46975779
Molecular FormulaC20H18F2N2O2
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name6-fluoro-N-[3-(2-fluorophenoxy)propyl]-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccc(F)cc2cc1C(=O)NCCCOc1ccccc1F
InChIInChI=1S/C20H18F2N2O2/c1-13-16(12-14-11-15(21)7-8-18(14)24-13)20(25)23-9-4-10-26-19-6-3-2-5-17(19)22/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,23,25)
InChIKeySONZKGWLXZYRAO-UHFFFAOYSA-N
XLogP4.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 54.02
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

7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide
CID 46532107
N-[3-(2-fluorophenoxy)propyl]-3-methoxynaphthalene-2-carboxamide
CID 24517721
N'-benzoyl-6-fluoro-2-methylquinoline-3-carbohydrazide
CID 4732209
N-(3-anilinopropyl)-6-chloro-2-methylquinoline-3-carboxamide
CID 56586435
6-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]-2-methylquinoline-3-carboxamide
CID 46975783
N-(3-butoxypropyl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 33220870
N-[2-(2,4-difluorophenoxy)ethyl]-2-methoxybenzamide
CID 113102332
7-fluoro-2-methyl-N-(2-quinolin-2-ylethyl)quinoline-3-carboxamide
CID 71940493
N-hexyl-2-methylquinoline-3-carboxamide
CID 110489615
5-bromo-2-chloro-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 42571761
7-fluoro-2-methyl-N-(2-propoxyphenyl)quinoline-3-carboxamide
CID 46808171
N-(5-chloro-2-pyridinyl)-6-fluoro-2-methylquinoline-3-carboxamide
CID 4732180

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[3-(2-fluorophenoxy)propyl]-2-methylquinoline-3-carboxamide?
The IUPAC name of 6-fluoro-N-[3-(2-fluorophenoxy)propyl]-2-methylquinoline-3-carboxamide (CID 46975779) is 6-fluoro-N-[3-(2-fluorophenoxy)propyl]-2-methylquinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[3-(2-fluorophenoxy)propyl]-2-methylquinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[3-(2-fluorophenoxy)propyl]-2-methylquinoline-3-carboxamide is Cc1nc2ccc(F)cc2cc1C(=O)NCCCOc1ccccc1F.
What is the InChIKey of 6-fluoro-N-[3-(2-fluorophenoxy)propyl]-2-methylquinoline-3-carboxamide?
The InChIKey is SONZKGWLXZYRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2/c1-13-16(12-14-11-15(21)7-8-18(14)24-13)20(25)23-9-4-10-26-19-6-3-2-5-17(19)22/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,23,25).
What are the key properties of 6-fluoro-N-[3-(2-fluorophenoxy)propyl]-2-methylquinoline-3-carboxamide?
6-fluoro-N-[3-(2-fluorophenoxy)propyl]-2-methylquinoline-3-carboxamide has a molecular weight of 356.37 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[3-(2-fluorophenoxy)propyl]-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 46975779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).