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

C24H27FN2O4 — CID 154461103

IUPACN-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide
SMILESCCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(CCCNC(C)=O)c12
InChIInChI=1S/C24H27FN2O4/c1-4-14-31-21-11-10-20(25)22-23(21)27(13-5-12-26-16(2)28)15-19(24(22)29)17-6-8-18(30-3)9-7-17/h6-11,15H,4-5,12-14H2,1-3H3,(H,26,28)
InChIKeyNHWYGRZGSFOOLP-UHFFFAOYSA-N
MW426.49 g/mol
LogP4.13
Rot. Bonds9

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

N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide (PubChem CID 154461103) has the molecular formula C24H27FN2O4 and a molecular weight of 426.49 g/mol. Its IUPAC name is N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide
PubChem CID154461103
Molecular FormulaC24H27FN2O4
Molecular Weight426.49 g/mol
Exact Mass426.20
IUPAC NameN-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide
SMILESCCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(CCCNC(C)=O)c12
InChIInChI=1S/C24H27FN2O4/c1-4-14-31-21-11-10-20(25)22-23(21)27(13-5-12-26-16(2)28)15-19(24(22)29)17-6-8-18(30-3)9-7-17/h6-11,15H,4-5,12-14H2,1-3H3,(H,26,28)
InChIKeyNHWYGRZGSFOOLP-UHFFFAOYSA-N
XLogP4.13
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 54.13
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide?
The IUPAC name of N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide (CID 154461103) is N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide.
What is the SMILES notation for N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide?
The canonical SMILES for 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(C)=O)c12.
What is the InChIKey of N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide?
The InChIKey is NHWYGRZGSFOOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O4/c1-4-14-31-21-11-10-20(25)22-23(21)27(13-5-12-26-16(2)28)15-19(24(22)29)17-6-8-18(30-3)9-7-17/h6-11,15H,4-5,12-14H2,1-3H3,(H,26,28).
What are the key properties of N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide?
N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide has a molecular weight of 426.49 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide is sourced from PubChem (CID 154461103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).