methyl 3-(dimethylcarbamoyloxy)-1-hydroxypyrido[1,2-a]indole-10-carboxylate

C17H16N2O5 — CID 66668012

IUPACmethyl 3-(dimethylcarbamoyloxy)-1-hydroxypyrido[1,2-a]indole-10-carboxylate
SMILESCOC(=O)c1c2c(O)cc(OC(=O)N(C)C)cc2n2ccccc12
InChIInChI=1S/C17H16N2O5/c1-18(2)17(22)24-10-8-12-14(13(20)9-10)15(16(21)23-3)11-6-4-5-7-19(11)12/h4-9,20H,1-3H3
InChIKeyGHXXZXRTCAHGFY-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.65
Rot. Bonds2

About methyl 3-(dimethylcarbamoyloxy)-1-hydroxypyrido[1,2-a]indole-10-carboxylate

methyl 3-(dimethylcarbamoyloxy)-1-hydroxypyrido[1,2-a]indole-10-carboxylate (PubChem CID 66668012) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is methyl 3-(dimethylcarbamoyloxy)-1-hydroxypyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Namemethyl 3-(dimethylcarbamoyloxy)-1-hydroxypyrido[1,2-a]indole-10-carboxylate
PubChem CID66668012
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Namemethyl 3-(dimethylcarbamoyloxy)-1-hydroxypyrido[1,2-a]indole-10-carboxylate
SMILESCOC(=O)c1c2c(O)cc(OC(=O)N(C)C)cc2n2ccccc12
InChIInChI=1S/C17H16N2O5/c1-18(2)17(22)24-10-8-12-14(13(20)9-10)15(16(21)23-3)11-6-4-5-7-19(11)12/h4-9,20H,1-3H3
InChIKeyGHXXZXRTCAHGFY-UHFFFAOYSA-N
XLogP2.65
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(dimethylcarbamoyloxy)-1-hydroxypyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of methyl 3-(dimethylcarbamoyloxy)-1-hydroxypyrido[1,2-a]indole-10-carboxylate (CID 66668012) is methyl 3-(dimethylcarbamoyloxy)-1-hydroxypyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for methyl 3-(dimethylcarbamoyloxy)-1-hydroxypyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for methyl 3-(dimethylcarbamoyloxy)-1-hydroxypyrido[1,2-a]indole-10-carboxylate is COC(=O)c1c2c(O)cc(OC(=O)N(C)C)cc2n2ccccc12.
What is the InChIKey of methyl 3-(dimethylcarbamoyloxy)-1-hydroxypyrido[1,2-a]indole-10-carboxylate?
The InChIKey is GHXXZXRTCAHGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-18(2)17(22)24-10-8-12-14(13(20)9-10)15(16(21)23-3)11-6-4-5-7-19(11)12/h4-9,20H,1-3H3.
What are the key properties of methyl 3-(dimethylcarbamoyloxy)-1-hydroxypyrido[1,2-a]indole-10-carboxylate?
methyl 3-(dimethylcarbamoyloxy)-1-hydroxypyrido[1,2-a]indole-10-carboxylate has a molecular weight of 328.32 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethylcarbamoyloxy)-1-hydroxypyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 66668012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).