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

C24H30N2O5 — CID 2939219

IUPAC4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one
SMILESCOc1ccc(C2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O
InChIInChI=1S/C24H30N2O5/c1-14-20(23(29)26-7-9-31-10-8-26)21(15-5-6-19(30-4)17(27)11-15)22-16(25-14)12-24(2,3)13-18(22)28/h5-6,11,21,25,27H,7-10,12-13H2,1-4H3
InChIKeyRNSUAPGYGDOXSG-UHFFFAOYSA-N
MW426.51 g/mol
LogP2.86
Rot. Bonds3

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

4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one (PubChem CID 2939219) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is 4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one.

Molecular Properties

Compound Name4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one
PubChem CID2939219
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one
SMILESCOc1ccc(C2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O
InChIInChI=1S/C24H30N2O5/c1-14-20(23(29)26-7-9-31-10-8-26)21(15-5-6-19(30-4)17(27)11-15)22-16(25-14)12-24(2,3)13-18(22)28/h5-6,11,21,25,27H,7-10,12-13H2,1-4H3
InChIKeyRNSUAPGYGDOXSG-UHFFFAOYSA-N
XLogP2.86
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one?
The IUPAC name of 4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one (CID 2939219) is 4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one.
What is the SMILES notation for 4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one?
The canonical SMILES for 4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one is COc1ccc(C2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O.
What is the InChIKey of 4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one?
The InChIKey is RNSUAPGYGDOXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-14-20(23(29)26-7-9-31-10-8-26)21(15-5-6-19(30-4)17(27)11-15)22-16(25-14)12-24(2,3)13-18(22)28/h5-6,11,21,25,27H,7-10,12-13H2,1-4H3.
What are the key properties of 4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one?
4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one has a molecular weight of 426.51 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one is sourced from PubChem (CID 2939219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).