2-[(7-fluoroquinolin-2-yl)-methylamino]-N-(3-methoxypropyl)acetamide

C16H20FN3O2 — CID 71871271

IUPAC2-[(7-fluoroquinolin-2-yl)-methylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C)c1ccc2ccc(F)cc2n1
InChIInChI=1S/C16H20FN3O2/c1-20(11-16(21)18-8-3-9-22-2)15-7-5-12-4-6-13(17)10-14(12)19-15/h4-7,10H,3,8-9,11H2,1-2H3,(H,18,21)
InChIKeyLOQJWLMKCNMVFT-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.96
Rot. Bonds7

About 2-[(7-fluoroquinolin-2-yl)-methylamino]-N-(3-methoxypropyl)acetamide

2-[(7-fluoroquinolin-2-yl)-methylamino]-N-(3-methoxypropyl)acetamide (PubChem CID 71871271) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 2-[(7-fluoroquinolin-2-yl)-methylamino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[(7-fluoroquinolin-2-yl)-methylamino]-N-(3-methoxypropyl)acetamide
PubChem CID71871271
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name2-[(7-fluoroquinolin-2-yl)-methylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C)c1ccc2ccc(F)cc2n1
InChIInChI=1S/C16H20FN3O2/c1-20(11-16(21)18-8-3-9-22-2)15-7-5-12-4-6-13(17)10-14(12)19-15/h4-7,10H,3,8-9,11H2,1-2H3,(H,18,21)
InChIKeyLOQJWLMKCNMVFT-UHFFFAOYSA-N
XLogP1.96
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 134001625
5-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]pyrazine-2-carboxylic acid
CID 122052812
2-(3-hydroxy-N-methylanilino)-N-(3-methoxypropyl)acetamide
CID 75430959
2-(5-fluoroindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 63850800
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
CID 113164320
2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(3-methoxypropyl)acetamide
CID 90605768
7-chloro-N-(3-methoxypropyl)quinoline-2-carboxamide
CID 110490274
3-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 51307897
(2S)-2-(4-fluorophenoxy)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpropanamide
CID 94777102
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 106767470
1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea
CID 47193946

Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoroquinolin-2-yl)-methylamino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[(7-fluoroquinolin-2-yl)-methylamino]-N-(3-methoxypropyl)acetamide (CID 71871271) is 2-[(7-fluoroquinolin-2-yl)-methylamino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[(7-fluoroquinolin-2-yl)-methylamino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[(7-fluoroquinolin-2-yl)-methylamino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(C)c1ccc2ccc(F)cc2n1.
What is the InChIKey of 2-[(7-fluoroquinolin-2-yl)-methylamino]-N-(3-methoxypropyl)acetamide?
The InChIKey is LOQJWLMKCNMVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-20(11-16(21)18-8-3-9-22-2)15-7-5-12-4-6-13(17)10-14(12)19-15/h4-7,10H,3,8-9,11H2,1-2H3,(H,18,21).
What are the key properties of 2-[(7-fluoroquinolin-2-yl)-methylamino]-N-(3-methoxypropyl)acetamide?
2-[(7-fluoroquinolin-2-yl)-methylamino]-N-(3-methoxypropyl)acetamide has a molecular weight of 305.35 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-fluoroquinolin-2-yl)-methylamino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 71871271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).