3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide

C22H23FN2O2 — CID 110331560

IUPAC3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCc1cc(C)c2[nH]c(=O)c(CCC(=O)NCCc3ccc(F)cc3)cc2c1
InChIInChI=1S/C22H23FN2O2/c1-14-11-15(2)21-18(12-14)13-17(22(27)25-21)5-8-20(26)24-10-9-16-3-6-19(23)7-4-16/h3-4,6-7,11-13H,5,8-10H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyXAXAOEKVJXCXSM-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.58
Rot. Bonds6

About 3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide

3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide (PubChem CID 110331560) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
PubChem CID110331560
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCc1cc(C)c2[nH]c(=O)c(CCC(=O)NCCc3ccc(F)cc3)cc2c1
InChIInChI=1S/C22H23FN2O2/c1-14-11-15(2)21-18(12-14)13-17(22(27)25-21)5-8-20(26)24-10-9-16-3-6-19(23)7-4-16/h3-4,6-7,11-13H,5,8-10H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyXAXAOEKVJXCXSM-UHFFFAOYSA-N
XLogP3.58
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110331644
3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(pyridin-4-ylmethyl)propanamide
CID 110331556
N-tert-butyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331576
3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide
CID 110331725
N-[2-(4-fluorophenyl)ethyl]-3-(2,4,6-trimethylanilino)propanamide
CID 109024994
N-[2-(4-fluorophenyl)ethyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110389986
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 110331634
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide
CID 110326259
1-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea
CID 110326282
4-(4-fluorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide
CID 110415150
N-[2-(4-methoxyphenyl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331176
3-(4-methoxyphenyl)-N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110325780

Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide (CID 110331560) is 3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide is Cc1cc(C)c2[nH]c(=O)c(CCC(=O)NCCc3ccc(F)cc3)cc2c1.
What is the InChIKey of 3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is XAXAOEKVJXCXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-14-11-15(2)21-18(12-14)13-17(22(27)25-21)5-8-20(26)24-10-9-16-3-6-19(23)7-4-16/h3-4,6-7,11-13H,5,8-10H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide?
3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 366.44 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 110331560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).