7,8-dimethoxy-10-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide

C22H25N3O4 — CID 11661197

IUPAC7,8-dimethoxy-10-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide
SMILESCNC(=O)N1CCn2c(c(-c3ccc(OC)cc3)c3cc(OC)c(OC)cc32)C1
InChIInChI=1S/C22H25N3O4/c1-23-22(26)24-9-10-25-17-12-20(29-4)19(28-3)11-16(17)21(18(25)13-24)14-5-7-15(27-2)8-6-14/h5-8,11-12H,9-10,13H2,1-4H3,(H,23,26)
InChIKeyKAAZZEBFTFXGJQ-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.49
Rot. Bonds4

About 7,8-dimethoxy-10-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide

7,8-dimethoxy-10-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide (PubChem CID 11661197) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 7,8-dimethoxy-10-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide.

Molecular Properties

Compound Name7,8-dimethoxy-10-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide
PubChem CID11661197
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name7,8-dimethoxy-10-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide
SMILESCNC(=O)N1CCn2c(c(-c3ccc(OC)cc3)c3cc(OC)c(OC)cc32)C1
InChIInChI=1S/C22H25N3O4/c1-23-22(26)24-9-10-25-17-12-20(29-4)19(28-3)11-16(17)21(18(25)13-24)14-5-7-15(27-2)8-6-14/h5-8,11-12H,9-10,13H2,1-4H3,(H,23,26)
InChIKeyKAAZZEBFTFXGJQ-UHFFFAOYSA-N
XLogP3.49
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7,8-dimethoxy-10-(4-methoxyphenyl)-2-propan-2-ylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
CID 11704937
7,8-dimethoxy-10-(4-methoxyphenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
CID 69106577
1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide
CID 23800038
1-[2-(dimethylamino)ethyl]-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carboxylic acid
CID 69106698
N-cyclopentyl-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 134792457
(3R)-3-amino-1-[1-(4-methoxyphenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride
CID 44515257
N-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 134795446
3-methoxy-4-(4-methoxyphenyl)-5-methylbenzoic acid
CID 54447835
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methoxyphenyl)butane-1,4-dione
CID 49015114
4-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
CID 91921338
3-cyclopropyl-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 139530320
2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid
CID 162716808

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-10-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide?
The IUPAC name of 7,8-dimethoxy-10-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide (CID 11661197) is 7,8-dimethoxy-10-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide.
What is the SMILES notation for 7,8-dimethoxy-10-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide?
The canonical SMILES for 7,8-dimethoxy-10-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide is CNC(=O)N1CCn2c(c(-c3ccc(OC)cc3)c3cc(OC)c(OC)cc32)C1.
What is the InChIKey of 7,8-dimethoxy-10-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide?
The InChIKey is KAAZZEBFTFXGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-23-22(26)24-9-10-25-17-12-20(29-4)19(28-3)11-16(17)21(18(25)13-24)14-5-7-15(27-2)8-6-14/h5-8,11-12H,9-10,13H2,1-4H3,(H,23,26).
What are the key properties of 7,8-dimethoxy-10-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide?
7,8-dimethoxy-10-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-10-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide is sourced from PubChem (CID 11661197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).