2-chloro-N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide

C24H26ClFN2O4 — CID 58492561

IUPAC2-chloro-N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide
SMILESCCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(CCCNC(=O)CCl)c12
InChIInChI=1S/C24H26ClFN2O4/c1-3-13-32-20-10-9-19(26)22-23(20)28(12-4-11-27-21(29)14-25)15-18(24(22)30)16-5-7-17(31-2)8-6-16/h5-10,15H,3-4,11-14H2,1-2H3,(H,27,29)
InChIKeyQWFWIJKVSLDYEM-UHFFFAOYSA-N
MW460.93 g/mol
LogP4.35
Rot. Bonds10

About 2-chloro-N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide

2-chloro-N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide (PubChem CID 58492561) has the molecular formula C24H26ClFN2O4 and a molecular weight of 460.93 g/mol. Its IUPAC name is 2-chloro-N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide
PubChem CID58492561
Molecular FormulaC24H26ClFN2O4
Molecular Weight460.93 g/mol
Exact Mass460.16
IUPAC Name2-chloro-N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide
SMILESCCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(CCCNC(=O)CCl)c12
InChIInChI=1S/C24H26ClFN2O4/c1-3-13-32-20-10-9-19(26)22-23(20)28(12-4-11-27-21(29)14-25)15-18(24(22)30)16-5-7-17(31-2)8-6-16/h5-10,15H,3-4,11-14H2,1-2H3,(H,27,29)
InChIKeyQWFWIJKVSLDYEM-UHFFFAOYSA-N
XLogP4.35
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.93
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide?
The IUPAC name of 2-chloro-N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide (CID 58492561) is 2-chloro-N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide is CCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(CCCNC(=O)CCl)c12.
What is the InChIKey of 2-chloro-N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide?
The InChIKey is QWFWIJKVSLDYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN2O4/c1-3-13-32-20-10-9-19(26)22-23(20)28(12-4-11-27-21(29)14-25)15-18(24(22)30)16-5-7-17(31-2)8-6-16/h5-10,15H,3-4,11-14H2,1-2H3,(H,27,29).
What are the key properties of 2-chloro-N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide?
2-chloro-N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide has a molecular weight of 460.93 g/mol, XLogP of 4.35, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide is sourced from PubChem (CID 58492561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).