N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide

C23H23FN2O3 — CID 110616824

IUPACN-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCc1cc(C)c2cc(CCNC(=O)CCC(=O)c3ccc(F)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C23H23FN2O3/c1-14-11-15(2)19-13-17(23(29)26-20(19)12-14)9-10-25-22(28)8-7-21(27)16-3-5-18(24)6-4-16/h3-6,11-13H,7-10H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyWDKDKVKAZSRHCG-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.61
Rot. Bonds7

About N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide

N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 110616824) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
PubChem CID110616824
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC NameN-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCc1cc(C)c2cc(CCNC(=O)CCC(=O)c3ccc(F)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C23H23FN2O3/c1-14-11-15(2)19-13-17(23(29)26-20(19)12-14)9-10-25-22(28)8-7-21(27)16-3-5-18(24)6-4-16/h3-6,11-13H,7-10H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyWDKDKVKAZSRHCG-UHFFFAOYSA-N
XLogP3.61
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110415464
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-fluorophenyl)propanamide
CID 110415422
3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide
CID 110331725
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 110414004
4-(4-methoxyphenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide
CID 110415264
5-(4-fluorophenyl)-5-oxo-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]pentanamide
CID 110413637
4-(4-methoxyphenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide
CID 110415351
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110326439
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110662819
3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110331560
2-(dimethylamino)-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylacetamide
CID 110609132
1-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(oxan-4-yl)urea
CID 110609150

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide (CID 110616824) is N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide is Cc1cc(C)c2cc(CCNC(=O)CCC(=O)c3ccc(F)cc3)c(=O)[nH]c2c1.
What is the InChIKey of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is WDKDKVKAZSRHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c1-14-11-15(2)19-13-17(23(29)26-20(19)12-14)9-10-25-22(28)8-7-21(27)16-3-5-18(24)6-4-16/h3-6,11-13H,7-10H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide?
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 394.45 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 110616824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).