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

C24H29BrN2O4 — CID 2937317

IUPAC4-(5-bromo-2-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one
SMILESCOc1ccc(Br)cc1C1C(C(=O)N2CCOCC2)=C(C)NC2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C24H29BrN2O4/c1-14-20(23(29)27-7-9-31-10-8-27)21(16-11-15(25)5-6-19(16)30-4)22-17(26-14)12-24(2,3)13-18(22)28/h5-6,11,21,26H,7-10,12-13H2,1-4H3
InChIKeyFZNSSGAPWFCKOI-UHFFFAOYSA-N
MW489.41 g/mol
LogP3.92
Rot. Bonds3

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

4-(5-bromo-2-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one (PubChem CID 2937317) has the molecular formula C24H29BrN2O4 and a molecular weight of 489.41 g/mol. Its IUPAC name is 4-(5-bromo-2-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one.

Molecular Properties

Compound Name4-(5-bromo-2-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one
PubChem CID2937317
Molecular FormulaC24H29BrN2O4
Molecular Weight489.41 g/mol
Exact Mass488.13
IUPAC Name4-(5-bromo-2-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one
SMILESCOc1ccc(Br)cc1C1C(C(=O)N2CCOCC2)=C(C)NC2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C24H29BrN2O4/c1-14-20(23(29)27-7-9-31-10-8-27)21(16-11-15(25)5-6-19(16)30-4)22-17(26-14)12-24(2,3)13-18(22)28/h5-6,11,21,26H,7-10,12-13H2,1-4H3
InChIKeyFZNSSGAPWFCKOI-UHFFFAOYSA-N
XLogP3.92
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one
CID 2938613
(4S)-4-(5-bromo-2-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one
CID 1094529
(4S)-4-(4-bromophenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one
CID 1316781
(4S)-4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one
CID 1094521
methyl (4S)-4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 1099469
cyclopentyl (4R)-4-(2,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 1099613
(4R)-N-(5-bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 98127347
benzyl (4S)-4-(2,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 1103047
4-(4-fluorophenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one
CID 3464795
methyl (4R)-4-(2,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 1099463
(4R)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one
CID 1309120
methyl (4R)-4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 982674

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one?
The IUPAC name of 4-(5-bromo-2-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one (CID 2937317) is 4-(5-bromo-2-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one.
What is the SMILES notation for 4-(5-bromo-2-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one?
The canonical SMILES for 4-(5-bromo-2-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one is COc1ccc(Br)cc1C1C(C(=O)N2CCOCC2)=C(C)NC2=C1C(=O)CC(C)(C)C2.
What is the InChIKey of 4-(5-bromo-2-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one?
The InChIKey is FZNSSGAPWFCKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN2O4/c1-14-20(23(29)27-7-9-31-10-8-27)21(16-11-15(25)5-6-19(16)30-4)22-17(26-14)12-24(2,3)13-18(22)28/h5-6,11,21,26H,7-10,12-13H2,1-4H3.
What are the key properties of 4-(5-bromo-2-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one?
4-(5-bromo-2-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one has a molecular weight of 489.41 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one is sourced from PubChem (CID 2937317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).