N-cyclooctyl-2-(2,4-dimethylphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

C30H37N3O3 — CID 22523425

IUPACN-cyclooctyl-2-(2,4-dimethylphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccc2cc3n(c2c1)CC(C)(C(=O)NC1CCCCCCC1)N(c1ccc(C)cc1C)C3=O
InChIInChI=1S/C30H37N3O3/c1-20-12-15-25(21(2)16-20)33-28(34)27-17-22-13-14-24(36-4)18-26(22)32(27)19-30(33,3)29(35)31-23-10-8-6-5-7-9-11-23/h12-18,23H,5-11,19H2,1-4H3,(H,31,35)
InChIKeyZXGNYRQNYIVCKF-UHFFFAOYSA-N
MW487.64 g/mol
LogP5.91
Rot. Bonds4

About N-cyclooctyl-2-(2,4-dimethylphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

N-cyclooctyl-2-(2,4-dimethylphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 22523425) has the molecular formula C30H37N3O3 and a molecular weight of 487.64 g/mol. Its IUPAC name is N-cyclooctyl-2-(2,4-dimethylphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-2-(2,4-dimethylphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID22523425
Molecular FormulaC30H37N3O3
Molecular Weight487.64 g/mol
Exact Mass487.28
IUPAC NameN-cyclooctyl-2-(2,4-dimethylphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccc2cc3n(c2c1)CC(C)(C(=O)NC1CCCCCCC1)N(c1ccc(C)cc1C)C3=O
InChIInChI=1S/C30H37N3O3/c1-20-12-15-25(21(2)16-20)33-28(34)27-17-22-13-14-24(36-4)18-26(22)32(27)19-30(33,3)29(35)31-23-10-8-6-5-7-9-11-23/h12-18,23H,5-11,19H2,1-4H3,(H,31,35)
InChIKeyZXGNYRQNYIVCKF-UHFFFAOYSA-N
XLogP5.91
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.64
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(2,4-dimethoxyphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756837
(3R)-N-cyclopentyl-7-methoxy-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739833
(3S)-N-cyclohexyl-7-methoxy-2-(4-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739510
N-cyclooctyl-2-(2,3-dimethylphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523417
(3R)-N-cyclohexyl-2-(3,5-dimethoxyphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704124
N-cyclohexyl-7-methoxy-2-(2-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756857
(3R)-N-cyclooctyl-7-methoxy-2-(3-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704403
(3R)-N-cyclooctyl-2-cyclopentyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704452
(3R)-N-cyclopentyl-2-(4-fluorophenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92721807
(3R)-N-cycloheptyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704268
(3R)-2-(3-chlorophenyl)-N-cyclopentyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739779
(3R)-N-cyclopentyl-2-(2,4-dimethoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739676

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-(2,4-dimethylphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of N-cyclooctyl-2-(2,4-dimethylphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 22523425) is N-cyclooctyl-2-(2,4-dimethylphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for N-cyclooctyl-2-(2,4-dimethylphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for N-cyclooctyl-2-(2,4-dimethylphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is COc1ccc2cc3n(c2c1)CC(C)(C(=O)NC1CCCCCCC1)N(c1ccc(C)cc1C)C3=O.
What is the InChIKey of N-cyclooctyl-2-(2,4-dimethylphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is ZXGNYRQNYIVCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O3/c1-20-12-15-25(21(2)16-20)33-28(34)27-17-22-13-14-24(36-4)18-26(22)32(27)19-30(33,3)29(35)31-23-10-8-6-5-7-9-11-23/h12-18,23H,5-11,19H2,1-4H3,(H,31,35).
What are the key properties of N-cyclooctyl-2-(2,4-dimethylphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
N-cyclooctyl-2-(2,4-dimethylphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 487.64 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-(2,4-dimethylphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 22523425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).