10-chloro-2-(3-methoxybenzoyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one

C20H19ClN2O3 — CID 110294818

IUPAC10-chloro-2-(3-methoxybenzoyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
SMILESCOc1cccc(C(=O)N2CC(=O)N3CCc4ccc(Cl)cc4C3C2)c1
InChIInChI=1S/C20H19ClN2O3/c1-26-16-4-2-3-14(9-16)20(25)22-11-18-17-10-15(21)6-5-13(17)7-8-23(18)19(24)12-22/h2-6,9-10,18H,7-8,11-12H2,1H3
InChIKeyNDIJFAVMQZHWRF-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.93
Rot. Bonds2

About 10-chloro-2-(3-methoxybenzoyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one

10-chloro-2-(3-methoxybenzoyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one (PubChem CID 110294818) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 10-chloro-2-(3-methoxybenzoyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one.

Molecular Properties

Compound Name10-chloro-2-(3-methoxybenzoyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
PubChem CID110294818
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name10-chloro-2-(3-methoxybenzoyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
SMILESCOc1cccc(C(=O)N2CC(=O)N3CCc4ccc(Cl)cc4C3C2)c1
InChIInChI=1S/C20H19ClN2O3/c1-26-16-4-2-3-14(9-16)20(25)22-11-18-17-10-15(21)6-5-13(17)7-8-23(18)19(24)12-22/h2-6,9-10,18H,7-8,11-12H2,1H3
InChIKeyNDIJFAVMQZHWRF-UHFFFAOYSA-N
XLogP2.93
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-chloro-2-(3-methoxybenzoyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one with MolForge

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Related Compounds

2-(3,5-dimethoxybenzoyl)-8-fluoro-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 46103758
(11bS)-9,10-dimethoxy-2-(pyridine-4-carbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 95802899
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-(3-methoxyphenyl)methanone
CID 121153325
phenyl 4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carboxylate
CID 13368687
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 26870111
N-(5-chloro-2-fluorophenyl)-10-fluoro-4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbothioamide
CID 71957529
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
2-(4-methylbenzoyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
CID 14547382
2-(4-chlorophenoxy)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 1074737
[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 121134461
4-chloro-2-[4-(3-methoxybenzoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 34093530

Frequently Asked Questions

What is the IUPAC name of 10-chloro-2-(3-methoxybenzoyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one?
The IUPAC name of 10-chloro-2-(3-methoxybenzoyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one (CID 110294818) is 10-chloro-2-(3-methoxybenzoyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one.
What is the SMILES notation for 10-chloro-2-(3-methoxybenzoyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one?
The canonical SMILES for 10-chloro-2-(3-methoxybenzoyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one is COc1cccc(C(=O)N2CC(=O)N3CCc4ccc(Cl)cc4C3C2)c1.
What is the InChIKey of 10-chloro-2-(3-methoxybenzoyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one?
The InChIKey is NDIJFAVMQZHWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-26-16-4-2-3-14(9-16)20(25)22-11-18-17-10-15(21)6-5-13(17)7-8-23(18)19(24)12-22/h2-6,9-10,18H,7-8,11-12H2,1H3.
What are the key properties of 10-chloro-2-(3-methoxybenzoyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one?
10-chloro-2-(3-methoxybenzoyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one has a molecular weight of 370.84 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-2-(3-methoxybenzoyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one is sourced from PubChem (CID 110294818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).