2-(dimethylamino)ethyl 3-hydroxypyrido[1,2-a]indole-10-carboxylate

C17H18N2O3 — CID 66667606

IUPAC2-(dimethylamino)ethyl 3-hydroxypyrido[1,2-a]indole-10-carboxylate
SMILESCN(C)CCOC(=O)c1c2ccc(O)cc2n2ccccc12
InChIInChI=1S/C17H18N2O3/c1-18(2)9-10-22-17(21)16-13-7-6-12(20)11-15(13)19-8-4-3-5-14(16)19/h3-8,11,20H,9-10H2,1-2H3
InChIKeySKCLTQUHHZVMHR-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.52
Rot. Bonds4

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

2-(dimethylamino)ethyl 3-hydroxypyrido[1,2-a]indole-10-carboxylate (PubChem CID 66667606) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 3-hydroxypyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 3-hydroxypyrido[1,2-a]indole-10-carboxylate
PubChem CID66667606
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-(dimethylamino)ethyl 3-hydroxypyrido[1,2-a]indole-10-carboxylate
SMILESCN(C)CCOC(=O)c1c2ccc(O)cc2n2ccccc12
InChIInChI=1S/C17H18N2O3/c1-18(2)9-10-22-17(21)16-13-7-6-12(20)11-15(13)19-8-4-3-5-14(16)19/h3-8,11,20H,9-10H2,1-2H3
InChIKeySKCLTQUHHZVMHR-UHFFFAOYSA-N
XLogP2.52
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 3-hydroxypyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 3-hydroxypyrido[1,2-a]indole-10-carboxylate (CID 66667606) is 2-(dimethylamino)ethyl 3-hydroxypyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 3-hydroxypyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 3-hydroxypyrido[1,2-a]indole-10-carboxylate is CN(C)CCOC(=O)c1c2ccc(O)cc2n2ccccc12.
What is the InChIKey of 2-(dimethylamino)ethyl 3-hydroxypyrido[1,2-a]indole-10-carboxylate?
The InChIKey is SKCLTQUHHZVMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-18(2)9-10-22-17(21)16-13-7-6-12(20)11-15(13)19-8-4-3-5-14(16)19/h3-8,11,20H,9-10H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 3-hydroxypyrido[1,2-a]indole-10-carboxylate?
2-(dimethylamino)ethyl 3-hydroxypyrido[1,2-a]indole-10-carboxylate has a molecular weight of 298.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 3-hydroxypyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 66667606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).