N-(8-fluoroquinolin-4-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide

C22H23FN2O — CID 70113400

IUPACN-(8-fluoroquinolin-4-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCC(=O)N(CCc1ccc(C(C)C)cc1)c1ccnc2c(F)cccc12
InChIInChI=1S/C22H23FN2O/c1-15(2)18-9-7-17(8-10-18)12-14-25(16(3)26)21-11-13-24-22-19(21)5-4-6-20(22)23/h4-11,13,15H,12,14H2,1-3H3
InChIKeyLRCOIBAZTKAKQH-UHFFFAOYSA-N
MW350.44 g/mol
LogP5.09
Rot. Bonds5

About N-(8-fluoroquinolin-4-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide

N-(8-fluoroquinolin-4-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide (PubChem CID 70113400) has the molecular formula C22H23FN2O and a molecular weight of 350.44 g/mol. Its IUPAC name is N-(8-fluoroquinolin-4-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-(8-fluoroquinolin-4-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
PubChem CID70113400
Molecular FormulaC22H23FN2O
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC NameN-(8-fluoroquinolin-4-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCC(=O)N(CCc1ccc(C(C)C)cc1)c1ccnc2c(F)cccc12
InChIInChI=1S/C22H23FN2O/c1-15(2)18-9-7-17(8-10-18)12-14-25(16(3)26)21-11-13-24-22-19(21)5-4-6-20(22)23/h4-11,13,15H,12,14H2,1-3H3
InChIKeyLRCOIBAZTKAKQH-UHFFFAOYSA-N
XLogP5.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.44
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(8-fluoroquinolin-4-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The IUPAC name of N-(8-fluoroquinolin-4-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide (CID 70113400) is N-(8-fluoroquinolin-4-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide.
What is the SMILES notation for N-(8-fluoroquinolin-4-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The canonical SMILES for N-(8-fluoroquinolin-4-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide is CC(=O)N(CCc1ccc(C(C)C)cc1)c1ccnc2c(F)cccc12.
What is the InChIKey of N-(8-fluoroquinolin-4-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The InChIKey is LRCOIBAZTKAKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O/c1-15(2)18-9-7-17(8-10-18)12-14-25(16(3)26)21-11-13-24-22-19(21)5-4-6-20(22)23/h4-11,13,15H,12,14H2,1-3H3.
What are the key properties of N-(8-fluoroquinolin-4-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
N-(8-fluoroquinolin-4-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide has a molecular weight of 350.44 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoroquinolin-4-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 70113400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).