7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide

C15H17FN2O2 — CID 46532107

IUPAC7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide
SMILESCOCCCNC(=O)c1cc2ccc(F)cc2nc1C
InChIInChI=1S/C15H17FN2O2/c1-10-13(15(19)17-6-3-7-20-2)8-11-4-5-12(16)9-14(11)18-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,19)
InChIKeyLERGNJDLRZHQGI-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.45
Rot. Bonds5

About 7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide

7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide (PubChem CID 46532107) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide
PubChem CID46532107
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide
SMILESCOCCCNC(=O)c1cc2ccc(F)cc2nc1C
InChIInChI=1S/C15H17FN2O2/c1-10-13(15(19)17-6-3-7-20-2)8-11-4-5-12(16)9-14(11)18-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,19)
InChIKeyLERGNJDLRZHQGI-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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Related Compounds

7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide
CID 17484983
6-fluoro-N-[3-(2-fluorophenoxy)propyl]-2-methylquinoline-3-carboxamide
CID 46975779
7-fluoro-2-methyl-N-(3-piperazin-1-ylpropyl)quinoline-3-carboxamide;dihydrochloride
CID 119392326
7-fluoro-2-methyl-N-(2-quinolin-2-ylethyl)quinoline-3-carboxamide
CID 71940493
N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78854787
2-chloro-7-fluoro-N-[3-(4-fluorophenoxy)propyl]quinoline-3-carboxamide
CID 110307324
N-(2-amino-2-ethylbutyl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 119641458
2-chloro-7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]quinoline-3-carboxamide
CID 110299153
7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide
CID 55868189
N-(4-amino-4-oxobutyl)-2,7-dimethylquinoline-3-carboxamide
CID 56812703
2-[(7-fluoroquinolin-2-yl)-methylamino]-N-(3-methoxypropyl)acetamide
CID 71871271
N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 120504965

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide?
The IUPAC name of 7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide (CID 46532107) is 7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide.
What is the SMILES notation for 7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide?
The canonical SMILES for 7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide is COCCCNC(=O)c1cc2ccc(F)cc2nc1C.
What is the InChIKey of 7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide?
The InChIKey is LERGNJDLRZHQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10-13(15(19)17-6-3-7-20-2)8-11-4-5-12(16)9-14(11)18-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,19).
What are the key properties of 7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide?
7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-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 7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 46532107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).