N-[3-(dimethylamino)propyl]-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide

C26H32FN3O3 — CID 42878019

IUPACN-[3-(dimethylamino)propyl]-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide
SMILESCC(C)c1cc(=O)n(Cc2cccc(F)c2)c2cc(OCC(=O)NCCCN(C)C)ccc12
InChIInChI=1S/C26H32FN3O3/c1-18(2)23-15-26(32)30(16-19-7-5-8-20(27)13-19)24-14-21(9-10-22(23)24)33-17-25(31)28-11-6-12-29(3)4/h5,7-10,13-15,18H,6,11-12,16-17H2,1-4H3,(H,28,31)
InChIKeyXBVPTJLNVKZYGV-UHFFFAOYSA-N
MW453.56 g/mol
LogP3.76
Rot. Bonds10

About N-[3-(dimethylamino)propyl]-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide

N-[3-(dimethylamino)propyl]-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide (PubChem CID 42878019) has the molecular formula C26H32FN3O3 and a molecular weight of 453.56 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide
PubChem CID42878019
Molecular FormulaC26H32FN3O3
Molecular Weight453.56 g/mol
Exact Mass453.24
IUPAC NameN-[3-(dimethylamino)propyl]-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide
SMILESCC(C)c1cc(=O)n(Cc2cccc(F)c2)c2cc(OCC(=O)NCCCN(C)C)ccc12
InChIInChI=1S/C26H32FN3O3/c1-18(2)23-15-26(32)30(16-19-7-5-8-20(27)13-19)24-14-21(9-10-22(23)24)33-17-25(31)28-11-6-12-29(3)4/h5,7-10,13-15,18H,6,11-12,16-17H2,1-4H3,(H,28,31)
InChIKeyXBVPTJLNVKZYGV-UHFFFAOYSA-N
XLogP3.76
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-2-[1-[(3-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxyacetamide
CID 42877905
1-[(3-fluorophenyl)methyl]-7-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethoxy]-4-propan-2-ylquinolin-2-one
CID 42878022
N-[(3-fluorophenyl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 46590053
2-[1-(cyclopropylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 42878034
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 112991593
N-[3-(dimethylamino)propyl]-2-(3-propoxyphenoxy)acetamide
CID 4733113
N-cyclopropyl-2-(1-ethyl-2-oxo-4-propan-2-ylquinolin-7-yl)oxyacetamide
CID 42690310
N-[3-(dimethylamino)propyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 4911670
2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 42877882
2-(3-fluorophenoxy)-N-pentylacetamide
CID 110756252
2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide
CID 60626010
N-[(4-fluorophenyl)methyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 7700579

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide (CID 42878019) is N-[3-(dimethylamino)propyl]-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide is CC(C)c1cc(=O)n(Cc2cccc(F)c2)c2cc(OCC(=O)NCCCN(C)C)ccc12.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide?
The InChIKey is XBVPTJLNVKZYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O3/c1-18(2)23-15-26(32)30(16-19-7-5-8-20(27)13-19)24-14-21(9-10-22(23)24)33-17-25(31)28-11-6-12-29(3)4/h5,7-10,13-15,18H,6,11-12,16-17H2,1-4H3,(H,28,31).
What are the key properties of N-[3-(dimethylamino)propyl]-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide?
N-[3-(dimethylamino)propyl]-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide has a molecular weight of 453.56 g/mol, XLogP of 3.76, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-[1-[(3-fluorophenyl)methyl]-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide is sourced from PubChem (CID 42878019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).