2,2-difluoro-N-[5-[(8-methoxyquinolin-4-yl)amino]pentyl]acetamide

C17H21F2N3O2 — CID 138585653

IUPAC2,2-difluoro-N-[5-[(8-methoxyquinolin-4-yl)amino]pentyl]acetamide
SMILESCOc1cccc2c(NCCCCCNC(=O)C(F)F)ccnc12
InChIInChI=1S/C17H21F2N3O2/c1-24-14-7-5-6-12-13(8-11-21-15(12)14)20-9-3-2-4-10-22-17(23)16(18)19/h5-8,11,16H,2-4,9-10H2,1H3,(H,20,21)(H,22,23)
InChIKeyVPHPKWQUOILYAA-UHFFFAOYSA-N
MW337.37 g/mol
LogP3.21
Rot. Bonds9

About 2,2-difluoro-N-[5-[(8-methoxyquinolin-4-yl)amino]pentyl]acetamide

2,2-difluoro-N-[5-[(8-methoxyquinolin-4-yl)amino]pentyl]acetamide (PubChem CID 138585653) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is 2,2-difluoro-N-[5-[(8-methoxyquinolin-4-yl)amino]pentyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[5-[(8-methoxyquinolin-4-yl)amino]pentyl]acetamide
PubChem CID138585653
Molecular FormulaC17H21F2N3O2
Molecular Weight337.37 g/mol
Exact Mass337.16
IUPAC Name2,2-difluoro-N-[5-[(8-methoxyquinolin-4-yl)amino]pentyl]acetamide
SMILESCOc1cccc2c(NCCCCCNC(=O)C(F)F)ccnc12
InChIInChI=1S/C17H21F2N3O2/c1-24-14-7-5-6-12-13(8-11-21-15(12)14)20-9-3-2-4-10-22-17(23)16(18)19/h5-8,11,16H,2-4,9-10H2,1H3,(H,20,21)(H,22,23)
InChIKeyVPHPKWQUOILYAA-UHFFFAOYSA-N
XLogP3.21
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2-difluoro-N-[5-[(8-methoxyquinolin-4-yl)amino]pentyl]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

methyl 3-hydroxy-6-[4-[(8-methoxyquinolin-4-yl)amino]butyl]pyridine-2-carboxylate
CID 126529932
N-hexyl-8-methoxyquinolin-4-amine;8-methoxy-N-(4-methoxybutyl)quinolin-4-amine;8-methoxy-N-(6-methoxyhexyl)quinolin-4-amine;N-(5-methoxypentyl)quinolin-4-amine
CID 159618748
8-methoxy-N-[(4-methylphenyl)methyl]quinolin-4-amine
CID 178086355
N-[(1-tert-butyltriazol-4-yl)methyl]-8-methoxyquinolin-4-amine;2,2,2-trifluoroacetic acid
CID 166319090
3-[(8-propoxyquinolin-4-yl)amino]propanoic acid
CID 122048150
5-[[8-(methoxymethyl)quinolin-4-yl]amino]pentyl nitrate
CID 135260708
methyl 6-(quinolin-4-ylamino)hexanoate
CID 62005474
(8-methoxyquinolin-4-yl)methanol
CID 86714571
8-methoxy-N-(1-phenylethyl)quinolin-4-amine
CID 142630068
2-ethyl-N-(8-methoxyquinolin-5-yl)butanamide
CID 26823136
N-(6,8-dimethoxyquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 10589528
5-[(5-methoxyisoquinolin-1-yl)amino]pentanamide
CID 106238801

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[5-[(8-methoxyquinolin-4-yl)amino]pentyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[5-[(8-methoxyquinolin-4-yl)amino]pentyl]acetamide (CID 138585653) is 2,2-difluoro-N-[5-[(8-methoxyquinolin-4-yl)amino]pentyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[5-[(8-methoxyquinolin-4-yl)amino]pentyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[5-[(8-methoxyquinolin-4-yl)amino]pentyl]acetamide is COc1cccc2c(NCCCCCNC(=O)C(F)F)ccnc12.
What is the InChIKey of 2,2-difluoro-N-[5-[(8-methoxyquinolin-4-yl)amino]pentyl]acetamide?
The InChIKey is VPHPKWQUOILYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O2/c1-24-14-7-5-6-12-13(8-11-21-15(12)14)20-9-3-2-4-10-22-17(23)16(18)19/h5-8,11,16H,2-4,9-10H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2,2-difluoro-N-[5-[(8-methoxyquinolin-4-yl)amino]pentyl]acetamide?
2,2-difluoro-N-[5-[(8-methoxyquinolin-4-yl)amino]pentyl]acetamide has a molecular weight of 337.37 g/mol, XLogP of 3.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[5-[(8-methoxyquinolin-4-yl)amino]pentyl]acetamide is sourced from PubChem (CID 138585653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).