2,7,7-trimethyl-3-(morpholine-4-carbonyl)-4-(2,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinolin-5-one

C26H34N2O6 — CID 2938131

IUPAC2,7,7-trimethyl-3-(morpholine-4-carbonyl)-4-(2,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinolin-5-one
SMILESCOc1cc(OC)c(C2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC
InChIInChI=1S/C26H34N2O6/c1-15-22(25(30)28-7-9-34-10-8-28)23(24-17(27-15)13-26(2,3)14-18(24)29)16-11-20(32-5)21(33-6)12-19(16)31-4/h11-12,23,27H,7-10,13-14H2,1-6H3
InChIKeyBIINCLXDQQTABA-UHFFFAOYSA-N
MW470.57 g/mol
LogP3.18
Rot. Bonds5

About 2,7,7-trimethyl-3-(morpholine-4-carbonyl)-4-(2,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinolin-5-one

2,7,7-trimethyl-3-(morpholine-4-carbonyl)-4-(2,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinolin-5-one (PubChem CID 2938131) has the molecular formula C26H34N2O6 and a molecular weight of 470.57 g/mol. Its IUPAC name is 2,7,7-trimethyl-3-(morpholine-4-carbonyl)-4-(2,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinolin-5-one.

Molecular Properties

Compound Name2,7,7-trimethyl-3-(morpholine-4-carbonyl)-4-(2,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinolin-5-one
PubChem CID2938131
Molecular FormulaC26H34N2O6
Molecular Weight470.57 g/mol
Exact Mass470.24
IUPAC Name2,7,7-trimethyl-3-(morpholine-4-carbonyl)-4-(2,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinolin-5-one
SMILESCOc1cc(OC)c(C2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC
InChIInChI=1S/C26H34N2O6/c1-15-22(25(30)28-7-9-34-10-8-28)23(24-17(27-15)13-26(2,3)14-18(24)29)16-11-20(32-5)21(33-6)12-19(16)31-4/h11-12,23,27H,7-10,13-14H2,1-6H3
InChIKeyBIINCLXDQQTABA-UHFFFAOYSA-N
XLogP3.18
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2,4-dimethoxyphenyl)-2,7,7-trimethyl-3-(morpholin-4-ylcarbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
CID 656095
2-amino-7-methyl-6-[3-(4-morpholinyl)propyl]-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 666401
2-amino-6-(3-(diethylamino)propyl)-7-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 661955
4-(3-Hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one
CID 2939219
7-methyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-pyrano[3,2-c]pyridine-2,5(6H)-dione
CID 71754929
2-amino-7-methyl-6-(2-morpholinoethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 5203912
1,3-dimethyl-5-(2,4,5-trimethoxyphenyl)-5,9-dihydrofuro[3',4':5,6]pyrido[2,3-d]pyrimidine-2,4,6(1H,3H,8H)-trione
CID 16255156
(S)-1,3-dimethyl-7,7-dimethyl-10-(3,4,5-trimethoxyphenyl)-1,3,9-triaza-2,3,4,6,7,8,9,10-octahydro-2,4,5(1H)-anthracenetrione
CID 41092554
3,3'-((2,4,5-trimethoxyphenyl)methylene)bis(4-hydroxy-6-methylpyridin-2(1H)-one)
CID 54703497
Ethyl 2,7,7-trimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 3105930
2-Methylpropyl 2,7,7-trimethyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2869642
2-Methoxyethyl 2,7,7-trimethyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2869659

Frequently Asked Questions

What is the IUPAC name of 2,7,7-trimethyl-3-(morpholine-4-carbonyl)-4-(2,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinolin-5-one?
The IUPAC name of 2,7,7-trimethyl-3-(morpholine-4-carbonyl)-4-(2,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinolin-5-one (CID 2938131) is 2,7,7-trimethyl-3-(morpholine-4-carbonyl)-4-(2,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinolin-5-one.
What is the SMILES notation for 2,7,7-trimethyl-3-(morpholine-4-carbonyl)-4-(2,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinolin-5-one?
The canonical SMILES for 2,7,7-trimethyl-3-(morpholine-4-carbonyl)-4-(2,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinolin-5-one is COc1cc(OC)c(C2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC.
What is the InChIKey of 2,7,7-trimethyl-3-(morpholine-4-carbonyl)-4-(2,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinolin-5-one?
The InChIKey is BIINCLXDQQTABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O6/c1-15-22(25(30)28-7-9-34-10-8-28)23(24-17(27-15)13-26(2,3)14-18(24)29)16-11-20(32-5)21(33-6)12-19(16)31-4/h11-12,23,27H,7-10,13-14H2,1-6H3.
What are the key properties of 2,7,7-trimethyl-3-(morpholine-4-carbonyl)-4-(2,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinolin-5-one?
2,7,7-trimethyl-3-(morpholine-4-carbonyl)-4-(2,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinolin-5-one has a molecular weight of 470.57 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,7-trimethyl-3-(morpholine-4-carbonyl)-4-(2,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinolin-5-one is sourced from PubChem (CID 2938131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).