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

C22H28N4O3 — CID 66667548

IUPAC2-(dimethylamino)ethyl 7-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylate
SMILESCN(C)CCNC(=O)c1ccc2c(C(=O)OCCN(C)C)c3ccccc3n2c1
InChIInChI=1S/C22H28N4O3/c1-24(2)12-11-23-21(27)16-9-10-19-20(22(28)29-14-13-25(3)4)17-7-5-6-8-18(17)26(19)15-16/h5-10,15H,11-14H2,1-4H3,(H,23,27)
InChIKeyCWAZHUMHUQXTHI-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.10
Rot. Bonds8

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

2-(dimethylamino)ethyl 7-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylate (PubChem CID 66667548) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 7-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 7-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylate
PubChem CID66667548
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name2-(dimethylamino)ethyl 7-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylate
SMILESCN(C)CCNC(=O)c1ccc2c(C(=O)OCCN(C)C)c3ccccc3n2c1
InChIInChI=1S/C22H28N4O3/c1-24(2)12-11-23-21(27)16-9-10-19-20(22(28)29-14-13-25(3)4)17-7-5-6-8-18(17)26(19)15-16/h5-10,15H,11-14H2,1-4H3,(H,23,27)
InChIKeyCWAZHUMHUQXTHI-UHFFFAOYSA-N
XLogP2.10
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 7-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 7-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylate (CID 66667548) is 2-(dimethylamino)ethyl 7-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 7-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 7-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylate is CN(C)CCNC(=O)c1ccc2c(C(=O)OCCN(C)C)c3ccccc3n2c1.
What is the InChIKey of 2-(dimethylamino)ethyl 7-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylate?
The InChIKey is CWAZHUMHUQXTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-24(2)12-11-23-21(27)16-9-10-19-20(22(28)29-14-13-25(3)4)17-7-5-6-8-18(17)26(19)15-16/h5-10,15H,11-14H2,1-4H3,(H,23,27).
What are the key properties of 2-(dimethylamino)ethyl 7-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylate?
2-(dimethylamino)ethyl 7-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylate has a molecular weight of 396.49 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 7-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 66667548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).