2-(dimethylamino)ethyl 7-(3-methoxypropanoyl)pyrido[1,2-a]indole-10-carboxylate

C21H24N2O4 — CID 66666818

IUPAC2-(dimethylamino)ethyl 7-(3-methoxypropanoyl)pyrido[1,2-a]indole-10-carboxylate
SMILESCOCCC(=O)c1ccc2c(C(=O)OCCN(C)C)c3ccccc3n2c1
InChIInChI=1S/C21H24N2O4/c1-22(2)11-13-27-21(25)20-16-6-4-5-7-17(16)23-14-15(8-9-18(20)23)19(24)10-12-26-3/h4-9,14H,10-13H2,1-3H3
InChIKeyHWGFBGRTGUWPHB-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.03
Rot. Bonds8

About 2-(dimethylamino)ethyl 7-(3-methoxypropanoyl)pyrido[1,2-a]indole-10-carboxylate

2-(dimethylamino)ethyl 7-(3-methoxypropanoyl)pyrido[1,2-a]indole-10-carboxylate (PubChem CID 66666818) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 7-(3-methoxypropanoyl)pyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 7-(3-methoxypropanoyl)pyrido[1,2-a]indole-10-carboxylate
PubChem CID66666818
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-(dimethylamino)ethyl 7-(3-methoxypropanoyl)pyrido[1,2-a]indole-10-carboxylate
SMILESCOCCC(=O)c1ccc2c(C(=O)OCCN(C)C)c3ccccc3n2c1
InChIInChI=1S/C21H24N2O4/c1-22(2)11-13-27-21(25)20-16-6-4-5-7-17(16)23-14-15(8-9-18(20)23)19(24)10-12-26-3/h4-9,14H,10-13H2,1-3H3
InChIKeyHWGFBGRTGUWPHB-UHFFFAOYSA-N
XLogP3.03
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 7-(3-methoxypropanoyl)pyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 7-(3-methoxypropanoyl)pyrido[1,2-a]indole-10-carboxylate (CID 66666818) is 2-(dimethylamino)ethyl 7-(3-methoxypropanoyl)pyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 7-(3-methoxypropanoyl)pyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 7-(3-methoxypropanoyl)pyrido[1,2-a]indole-10-carboxylate is COCCC(=O)c1ccc2c(C(=O)OCCN(C)C)c3ccccc3n2c1.
What is the InChIKey of 2-(dimethylamino)ethyl 7-(3-methoxypropanoyl)pyrido[1,2-a]indole-10-carboxylate?
The InChIKey is HWGFBGRTGUWPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-22(2)11-13-27-21(25)20-16-6-4-5-7-17(16)23-14-15(8-9-18(20)23)19(24)10-12-26-3/h4-9,14H,10-13H2,1-3H3.
What are the key properties of 2-(dimethylamino)ethyl 7-(3-methoxypropanoyl)pyrido[1,2-a]indole-10-carboxylate?
2-(dimethylamino)ethyl 7-(3-methoxypropanoyl)pyrido[1,2-a]indole-10-carboxylate has a molecular weight of 368.43 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 7-(3-methoxypropanoyl)pyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 66666818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).