8-butyl-3-(4-methoxyphenyl)-N,N-dimethyl-4-oxo-1H-quinoline-5-carboxamide

C23H26N2O3 — CID 58465318

IUPAC8-butyl-3-(4-methoxyphenyl)-N,N-dimethyl-4-oxo-1H-quinoline-5-carboxamide
SMILESCCCCc1ccc(C(=O)N(C)C)c2c(=O)c(-c3ccc(OC)cc3)c[nH]c12
InChIInChI=1S/C23H26N2O3/c1-5-6-7-16-10-13-18(23(27)25(2)3)20-21(16)24-14-19(22(20)26)15-8-11-17(28-4)12-9-15/h8-14H,5-7H2,1-4H3,(H,24,26)
InChIKeyFSDDVEJVOIHMBK-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.25
Rot. Bonds6

About 8-butyl-3-(4-methoxyphenyl)-N,N-dimethyl-4-oxo-1H-quinoline-5-carboxamide

8-butyl-3-(4-methoxyphenyl)-N,N-dimethyl-4-oxo-1H-quinoline-5-carboxamide (PubChem CID 58465318) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 8-butyl-3-(4-methoxyphenyl)-N,N-dimethyl-4-oxo-1H-quinoline-5-carboxamide.

Molecular Properties

Compound Name8-butyl-3-(4-methoxyphenyl)-N,N-dimethyl-4-oxo-1H-quinoline-5-carboxamide
PubChem CID58465318
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name8-butyl-3-(4-methoxyphenyl)-N,N-dimethyl-4-oxo-1H-quinoline-5-carboxamide
SMILESCCCCc1ccc(C(=O)N(C)C)c2c(=O)c(-c3ccc(OC)cc3)c[nH]c12
InChIInChI=1S/C23H26N2O3/c1-5-6-7-16-10-13-18(23(27)25(2)3)20-21(16)24-14-19(22(20)26)15-8-11-17(28-4)12-9-15/h8-14H,5-7H2,1-4H3,(H,24,26)
InChIKeyFSDDVEJVOIHMBK-UHFFFAOYSA-N
XLogP4.25
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-butyl-3-(4-methoxyphenyl)-N,N-dimethyl-4-oxo-1H-quinoline-5-carboxamide with MolForge

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Related Compounds

3-(4-methoxyphenyl)-8-methyl-5-propoxy-1H-quinolin-4-one
CID 58465292
8-ethoxy-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one
CID 25165676
8-chloro-3-(4-methoxyphenyl)-5-propoxy-1H-quinolin-4-one
CID 58465289
3-(4-methoxyphenyl)-5,7-dimethyl-8-propoxy-1H-quinolin-4-one
CID 58465317
4-[[5-fluoro-3-(4-methoxyphenyl)-4-oxo-1H-quinolin-8-yl]oxy]octanamide
CID 123719026
5,8-diethoxy-3-(4-methoxyphenyl)-6-phenacyl-1H-quinolin-4-one
CID 58465340
1-(4-bromobutyl)-8-butyl-5-fluoro-3-(4-methoxyphenyl)quinolin-4-one
CID 70226869
1-[4-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
CID 14640948
1-(2-butyl-4-methoxyphenyl)ethanone
CID 67001427
3-butyl-2-hydroxy-N,N-dimethylbenzamide
CID 22930623
6-butyl-5-(4-methoxyphenyl)pyran-2-one
CID 11242353
hexane-2,4-dione;1-[4-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
CID 154689077

Frequently Asked Questions

What is the IUPAC name of 8-butyl-3-(4-methoxyphenyl)-N,N-dimethyl-4-oxo-1H-quinoline-5-carboxamide?
The IUPAC name of 8-butyl-3-(4-methoxyphenyl)-N,N-dimethyl-4-oxo-1H-quinoline-5-carboxamide (CID 58465318) is 8-butyl-3-(4-methoxyphenyl)-N,N-dimethyl-4-oxo-1H-quinoline-5-carboxamide.
What is the SMILES notation for 8-butyl-3-(4-methoxyphenyl)-N,N-dimethyl-4-oxo-1H-quinoline-5-carboxamide?
The canonical SMILES for 8-butyl-3-(4-methoxyphenyl)-N,N-dimethyl-4-oxo-1H-quinoline-5-carboxamide is CCCCc1ccc(C(=O)N(C)C)c2c(=O)c(-c3ccc(OC)cc3)c[nH]c12.
What is the InChIKey of 8-butyl-3-(4-methoxyphenyl)-N,N-dimethyl-4-oxo-1H-quinoline-5-carboxamide?
The InChIKey is FSDDVEJVOIHMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-5-6-7-16-10-13-18(23(27)25(2)3)20-21(16)24-14-19(22(20)26)15-8-11-17(28-4)12-9-15/h8-14H,5-7H2,1-4H3,(H,24,26).
What are the key properties of 8-butyl-3-(4-methoxyphenyl)-N,N-dimethyl-4-oxo-1H-quinoline-5-carboxamide?
8-butyl-3-(4-methoxyphenyl)-N,N-dimethyl-4-oxo-1H-quinoline-5-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-3-(4-methoxyphenyl)-N,N-dimethyl-4-oxo-1H-quinoline-5-carboxamide is sourced from PubChem (CID 58465318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).