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

C25H32N2O5 — CID 656095

IUPAC4-(2,4-dimethoxyphenyl)-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)c(OC)c1
InChIInChI=1S/C25H32N2O5/c1-15-21(24(29)27-8-10-32-11-9-27)22(17-7-6-16(30-4)12-20(17)31-5)23-18(26-15)13-25(2,3)14-19(23)28/h6-7,12,22,26H,8-11,13-14H2,1-5H3
InChIKeyRCUCYYOVRSRRKV-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.17
Rot. Bonds4

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

4-(2,4-dimethoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one (PubChem CID 656095) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one
PubChem CID656095
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC Name4-(2,4-dimethoxyphenyl)-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)c(OC)c1
InChIInChI=1S/C25H32N2O5/c1-15-21(24(29)27-8-10-32-11-9-27)22(17-7-6-16(30-4)12-20(17)31-5)23-18(26-15)13-25(2,3)14-19(23)28/h6-7,12,22,26H,8-11,13-14H2,1-5H3
InChIKeyRCUCYYOVRSRRKV-UHFFFAOYSA-N
XLogP3.17
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2,4-dimethoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one with MolForge

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Related Compounds

2,7,7-Trimethyl-3-(morpholine-4-carbonyl)-4-(2,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinolin-5-one
CID 2938131
ethyl 2-amino-4-(2-morpholin-4-yl-2-oxoethyl)-6-phenyl-4H-chromene-3-carboxylate
CID 25074409
9-(2,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
CID 1372331
2-methyl-3-(morpholin-4-ylcarbonyl)-4-[4-(trifluoromethoxy)phenyl]-4,6,7,8-tetrahydroquinolin-5(1H)-one
CID 2943522
5-amino-3-(2-hydroxyethyl)-8-methoxy-1H-chromeno[3,4-c]pyridine-2,4(3H,10bH)-dione
CID 71299381
5-amino-8-methoxy-3-(prop-2-ynyl)-1H-chromeno[3,4-c]pyridine-2,4(3H,10bH)-dione
CID 71299386
5-amino-8-methoxy-3-(3-morpholinopropyl)-1H-chromeno[3,4-c]pyridine-2,4(3H,10bH)-dione
CID 71299395
7-methyl-4-(2,4,6-trimethoxyphenyl)-3,4-dihydro-2H-pyrano[3,2-c]pyridine-2,5(6H)-dione
CID 71755100
4-(2,4-dimethoxyphenyl)-7-methyl-3,4-dihydro-2H-pyrano[3,2-c]pyridine-2,5(6H)-dione
CID 71755281
5-Amino-8-methoxy-3-(3-methoxypropyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
CID 145965220
5-Amino-8-methoxy-3-(2-methylpropyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
CID 145965251
5-Amino-8-ethoxy-3-(2-methylpropyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
CID 145966275

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one (CID 656095) is 4-(2,4-dimethoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-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)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one?
The InChIKey is RCUCYYOVRSRRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-15-21(24(29)27-8-10-32-11-9-27)22(17-7-6-16(30-4)12-20(17)31-5)23-18(26-15)13-25(2,3)14-19(23)28/h6-7,12,22,26H,8-11,13-14H2,1-5H3.
What are the key properties of 4-(2,4-dimethoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one?
4-(2,4-dimethoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one has a molecular weight of 440.54 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one is sourced from PubChem (CID 656095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).