N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-fluoro-N-(3-hydroxypropyl)benzamide

C22H23FN2O3 — CID 3193925

IUPACN-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-fluoro-N-(3-hydroxypropyl)benzamide
SMILESCCc1ccc2[nH]c(=O)c(CN(CCCO)C(=O)c3cccc(F)c3)cc2c1
InChIInChI=1S/C22H23FN2O3/c1-2-15-7-8-20-17(11-15)12-18(21(27)24-20)14-25(9-4-10-26)22(28)16-5-3-6-19(23)13-16/h3,5-8,11-13,26H,2,4,9-10,14H2,1H3,(H,24,27)
InChIKeyFHRJLSXACUYSEA-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.25
Rot. Bonds7

About N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-fluoro-N-(3-hydroxypropyl)benzamide

N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-fluoro-N-(3-hydroxypropyl)benzamide (PubChem CID 3193925) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-fluoro-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound NameN-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-fluoro-N-(3-hydroxypropyl)benzamide
PubChem CID3193925
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC NameN-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-fluoro-N-(3-hydroxypropyl)benzamide
SMILESCCc1ccc2[nH]c(=O)c(CN(CCCO)C(=O)c3cccc(F)c3)cc2c1
InChIInChI=1S/C22H23FN2O3/c1-2-15-7-8-20-17(11-15)12-18(21(27)24-20)14-25(9-4-10-26)22(28)16-5-3-6-19(23)13-16/h3,5-8,11-13,26H,2,4,9-10,14H2,1H3,(H,24,27)
InChIKeyFHRJLSXACUYSEA-UHFFFAOYSA-N
XLogP3.25
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-fluoro-N-(3-hydroxypropyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-fluoro-N-(3-hydroxypropyl)benzamide?
The IUPAC name of N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-fluoro-N-(3-hydroxypropyl)benzamide (CID 3193925) is N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-fluoro-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-fluoro-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-fluoro-N-(3-hydroxypropyl)benzamide is CCc1ccc2[nH]c(=O)c(CN(CCCO)C(=O)c3cccc(F)c3)cc2c1.
What is the InChIKey of N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-fluoro-N-(3-hydroxypropyl)benzamide?
The InChIKey is FHRJLSXACUYSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3/c1-2-15-7-8-20-17(11-15)12-18(21(27)24-20)14-25(9-4-10-26)22(28)16-5-3-6-19(23)13-16/h3,5-8,11-13,26H,2,4,9-10,14H2,1H3,(H,24,27).
What are the key properties of N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-fluoro-N-(3-hydroxypropyl)benzamide?
N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-fluoro-N-(3-hydroxypropyl)benzamide has a molecular weight of 382.44 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-fluoro-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 3193925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).