2-(dimethylamino)ethyl 3-(4-methoxybutanoyl)pyrido[1,2-a]indole-10-carboxylate

C22H26N2O4 — CID 66667334

IUPAC2-(dimethylamino)ethyl 3-(4-methoxybutanoyl)pyrido[1,2-a]indole-10-carboxylate
SMILESCOCCCC(=O)c1ccc2c(C(=O)OCCN(C)C)c3ccccn3c2c1
InChIInChI=1S/C22H26N2O4/c1-23(2)12-14-28-22(26)21-17-10-9-16(20(25)8-6-13-27-3)15-19(17)24-11-5-4-7-18(21)24/h4-5,7,9-11,15H,6,8,12-14H2,1-3H3
InChIKeyDFVNTWNWURIOOX-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.42
Rot. Bonds9

About 2-(dimethylamino)ethyl 3-(4-methoxybutanoyl)pyrido[1,2-a]indole-10-carboxylate

2-(dimethylamino)ethyl 3-(4-methoxybutanoyl)pyrido[1,2-a]indole-10-carboxylate (PubChem CID 66667334) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 3-(4-methoxybutanoyl)pyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 3-(4-methoxybutanoyl)pyrido[1,2-a]indole-10-carboxylate
PubChem CID66667334
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-(dimethylamino)ethyl 3-(4-methoxybutanoyl)pyrido[1,2-a]indole-10-carboxylate
SMILESCOCCCC(=O)c1ccc2c(C(=O)OCCN(C)C)c3ccccn3c2c1
InChIInChI=1S/C22H26N2O4/c1-23(2)12-14-28-22(26)21-17-10-9-16(20(25)8-6-13-27-3)15-19(17)24-11-5-4-7-18(21)24/h4-5,7,9-11,15H,6,8,12-14H2,1-3H3
InChIKeyDFVNTWNWURIOOX-UHFFFAOYSA-N
XLogP3.42
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)ethyl 3-(dimethylcarbamothioyl)pyrido[1,2-a]indole-10-carboxylate
CID 87097174
2-(dimethylamino)ethyl 7-(3-methoxypropanoyl)pyrido[1,2-a]indole-10-carboxylate
CID 66666818
3-N,10-N-bis[2-(dimethylamino)ethyl]pyrido[1,2-a]indole-3,10-dicarboxamide
CID 66667040
methyl 3-[2-methoxyethyl(methyl)sulfamoyl]pyrido[1,2-a]indole-10-carboxylate
CID 66666905
methyl 3-[4-amino-1-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
CID 56644027
methyl 3-[2-(dimethylamino)-1-hydroxyethyl]pyrido[1,2-a]indole-10-carboxylate
CID 66667553
2-(dimethylamino)ethyl 7-cyanopyrido[1,2-a]indole-10-carboxylate
CID 66667646
pentyl 3-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66667599
2-(dimethylamino)ethyl anthracene-9-carboxylate
CID 71404240
methyl 3-[4-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
CID 66666855
ethyl 3-(3-methylbutoxy)pyrido[1,2-a]indole-10-carboxylate
CID 56645067
3-methoxypyrido[1,2-a]indole-10-carboxamide
CID 56645534

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 3-(4-methoxybutanoyl)pyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 3-(4-methoxybutanoyl)pyrido[1,2-a]indole-10-carboxylate (CID 66667334) is 2-(dimethylamino)ethyl 3-(4-methoxybutanoyl)pyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 3-(4-methoxybutanoyl)pyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 3-(4-methoxybutanoyl)pyrido[1,2-a]indole-10-carboxylate is COCCCC(=O)c1ccc2c(C(=O)OCCN(C)C)c3ccccn3c2c1.
What is the InChIKey of 2-(dimethylamino)ethyl 3-(4-methoxybutanoyl)pyrido[1,2-a]indole-10-carboxylate?
The InChIKey is DFVNTWNWURIOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-23(2)12-14-28-22(26)21-17-10-9-16(20(25)8-6-13-27-3)15-19(17)24-11-5-4-7-18(21)24/h4-5,7,9-11,15H,6,8,12-14H2,1-3H3.
What are the key properties of 2-(dimethylamino)ethyl 3-(4-methoxybutanoyl)pyrido[1,2-a]indole-10-carboxylate?
2-(dimethylamino)ethyl 3-(4-methoxybutanoyl)pyrido[1,2-a]indole-10-carboxylate has a molecular weight of 382.46 g/mol, XLogP of 3.42, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 3-(4-methoxybutanoyl)pyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 66667334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).