4-(4-ethoxy-3-methoxyphenyl)-2-methylidene-3-(piperidine-1-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one

C25H32N2O4 — CID 4102067

IUPAC4-(4-ethoxy-3-methoxyphenyl)-2-methylidene-3-(piperidine-1-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one
SMILESC=C1NC2=C(C(=O)CCC2)C(c2ccc(OCC)c(OC)c2)C1C(=O)N1CCCCC1
InChIInChI=1S/C25H32N2O4/c1-4-31-20-12-11-17(15-21(20)30-3)23-22(25(29)27-13-6-5-7-14-27)16(2)26-18-9-8-10-19(28)24(18)23/h11-12,15,22-23,26H,2,4-10,13-14H2,1,3H3
InChIKeyNRYVOFNASKQSIQ-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.93
Rot. Bonds5

About 4-(4-ethoxy-3-methoxyphenyl)-2-methylidene-3-(piperidine-1-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one

4-(4-ethoxy-3-methoxyphenyl)-2-methylidene-3-(piperidine-1-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one (PubChem CID 4102067) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is 4-(4-ethoxy-3-methoxyphenyl)-2-methylidene-3-(piperidine-1-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one.

Molecular Properties

Compound Name4-(4-ethoxy-3-methoxyphenyl)-2-methylidene-3-(piperidine-1-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one
PubChem CID4102067
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name4-(4-ethoxy-3-methoxyphenyl)-2-methylidene-3-(piperidine-1-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one
SMILESC=C1NC2=C(C(=O)CCC2)C(c2ccc(OCC)c(OC)c2)C1C(=O)N1CCCCC1
InChIInChI=1S/C25H32N2O4/c1-4-31-20-12-11-17(15-21(20)30-3)23-22(25(29)27-13-6-5-7-14-27)16(2)26-18-9-8-10-19(28)24(18)23/h11-12,15,22-23,26H,2,4-10,13-14H2,1,3H3
InChIKeyNRYVOFNASKQSIQ-UHFFFAOYSA-N
XLogP3.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-ethoxy-3-methoxyphenyl)-2-methylidene-3-(piperidine-1-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one with MolForge

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Related Compounds

cyclohexyl 4-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2848436
[2-ethoxy-4-[2-methyl-5-oxo-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-4-yl]phenyl] acetate
CID 2943565
2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)-2-methoxyphenoxy]acetamide
CID 1089237
ethyl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
CID 5170817
ethyl 4-(2-methoxyphenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
CID 4058936
(9S)-9-(4-ethoxy-3-methoxyphenyl)-2-ethylsulfanyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 136807035
9-(3-methoxy-4-prop-2-enoxyphenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 2921589
ethyl 4-(3-iodophenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
CID 3627478
ethyl 4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-7,7-dimethyl-2-methylidene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate
CID 4749106
4-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one
CID 3331554
(4S)-4-(3,4-diethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7413516
propan-2-yl 4-(4-ethylphenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
CID 3503723

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-3-methoxyphenyl)-2-methylidene-3-(piperidine-1-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one?
The IUPAC name of 4-(4-ethoxy-3-methoxyphenyl)-2-methylidene-3-(piperidine-1-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one (CID 4102067) is 4-(4-ethoxy-3-methoxyphenyl)-2-methylidene-3-(piperidine-1-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one.
What is the SMILES notation for 4-(4-ethoxy-3-methoxyphenyl)-2-methylidene-3-(piperidine-1-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one?
The canonical SMILES for 4-(4-ethoxy-3-methoxyphenyl)-2-methylidene-3-(piperidine-1-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one is C=C1NC2=C(C(=O)CCC2)C(c2ccc(OCC)c(OC)c2)C1C(=O)N1CCCCC1.
What is the InChIKey of 4-(4-ethoxy-3-methoxyphenyl)-2-methylidene-3-(piperidine-1-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one?
The InChIKey is NRYVOFNASKQSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-4-31-20-12-11-17(15-21(20)30-3)23-22(25(29)27-13-6-5-7-14-27)16(2)26-18-9-8-10-19(28)24(18)23/h11-12,15,22-23,26H,2,4-10,13-14H2,1,3H3.
What are the key properties of 4-(4-ethoxy-3-methoxyphenyl)-2-methylidene-3-(piperidine-1-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one?
4-(4-ethoxy-3-methoxyphenyl)-2-methylidene-3-(piperidine-1-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one has a molecular weight of 424.54 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-3-methoxyphenyl)-2-methylidene-3-(piperidine-1-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one is sourced from PubChem (CID 4102067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).