N-[3-[[7-(difluoromethoxy)quinolin-2-yl]amino]propyl]acetamide

C15H17F2N3O2 — CID 166284103

IUPACN-[3-[[7-(difluoromethoxy)quinolin-2-yl]amino]propyl]acetamide
SMILESCC(=O)NCCCNc1ccc2ccc(OC(F)F)cc2n1
InChIInChI=1S/C15H17F2N3O2/c1-10(21)18-7-2-8-19-14-6-4-11-3-5-12(22-15(16)17)9-13(11)20-14/h3-6,9,15H,2,7-8H2,1H3,(H,18,21)(H,19,20)
InChIKeySUIIFVVFEVTNLQ-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.77
Rot. Bonds7

About N-[3-[[7-(difluoromethoxy)quinolin-2-yl]amino]propyl]acetamide

N-[3-[[7-(difluoromethoxy)quinolin-2-yl]amino]propyl]acetamide (PubChem CID 166284103) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-[3-[[7-(difluoromethoxy)quinolin-2-yl]amino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[[7-(difluoromethoxy)quinolin-2-yl]amino]propyl]acetamide
PubChem CID166284103
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC NameN-[3-[[7-(difluoromethoxy)quinolin-2-yl]amino]propyl]acetamide
SMILESCC(=O)NCCCNc1ccc2ccc(OC(F)F)cc2n1
InChIInChI=1S/C15H17F2N3O2/c1-10(21)18-7-2-8-19-14-6-4-11-3-5-12(22-15(16)17)9-13(11)20-14/h3-6,9,15H,2,7-8H2,1H3,(H,18,21)(H,19,20)
InChIKeySUIIFVVFEVTNLQ-UHFFFAOYSA-N
XLogP2.77
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[[7-(difluoromethoxy)quinolin-2-yl]amino]propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(6-bromo-8-chloroquinolin-2-yl)amino]propyl]acetamide
CID 133436542
2-hydroxy-3-[(7-methoxyquinolin-2-yl)amino]-N-methylpropanamide
CID 146081731
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-1-ol
CID 133423941
4-[[5-(difluoromethoxy)-2-pyridinyl]carbamoylamino]butanoic acid
CID 122094152
N-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]acetamide
CID 80786842
N-[[4-(difluoromethoxy)phenyl]methyl]-2,7-dimethylquinoline-3-carboxamide
CID 38797474
N-[3-(4-methoxyphenoxy)propyl]acetamide
CID 60578635
N-(5-naphthalen-2-yloxypentyl)acetamide
CID 175828319
4-[4-(difluoromethoxy)anilino]-N-methylbutanamide
CID 63892048
N-(3-acetamidopropyl)acetamide
CID 5147555
N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78854787

Frequently Asked Questions

What is the IUPAC name of N-[3-[[7-(difluoromethoxy)quinolin-2-yl]amino]propyl]acetamide?
The IUPAC name of N-[3-[[7-(difluoromethoxy)quinolin-2-yl]amino]propyl]acetamide (CID 166284103) is N-[3-[[7-(difluoromethoxy)quinolin-2-yl]amino]propyl]acetamide.
What is the SMILES notation for N-[3-[[7-(difluoromethoxy)quinolin-2-yl]amino]propyl]acetamide?
The canonical SMILES for N-[3-[[7-(difluoromethoxy)quinolin-2-yl]amino]propyl]acetamide is CC(=O)NCCCNc1ccc2ccc(OC(F)F)cc2n1.
What is the InChIKey of N-[3-[[7-(difluoromethoxy)quinolin-2-yl]amino]propyl]acetamide?
The InChIKey is SUIIFVVFEVTNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c1-10(21)18-7-2-8-19-14-6-4-11-3-5-12(22-15(16)17)9-13(11)20-14/h3-6,9,15H,2,7-8H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-[[7-(difluoromethoxy)quinolin-2-yl]amino]propyl]acetamide?
N-[3-[[7-(difluoromethoxy)quinolin-2-yl]amino]propyl]acetamide has a molecular weight of 309.32 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[7-(difluoromethoxy)quinolin-2-yl]amino]propyl]acetamide is sourced from PubChem (CID 166284103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).