[10-[ethoxy(hydroxy)methyl]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate

C18H20N2O4 — CID 123530734

IUPAC[10-[ethoxy(hydroxy)methyl]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate
SMILESCCOC(O)c1c2ccc(OC(=O)N(C)C)cc2n2ccccc12
InChIInChI=1S/C18H20N2O4/c1-4-23-17(21)16-13-9-8-12(24-18(22)19(2)3)11-15(13)20-10-6-5-7-14(16)20/h5-11,17,21H,4H2,1-3H3
InChIKeyTYOFEMJMFFPURX-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.18
Rot. Bonds4

About [10-[ethoxy(hydroxy)methyl]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate

[10-[ethoxy(hydroxy)methyl]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate (PubChem CID 123530734) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is [10-[ethoxy(hydroxy)methyl]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[10-[ethoxy(hydroxy)methyl]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate
PubChem CID123530734
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name[10-[ethoxy(hydroxy)methyl]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate
SMILESCCOC(O)c1c2ccc(OC(=O)N(C)C)cc2n2ccccc12
InChIInChI=1S/C18H20N2O4/c1-4-23-17(21)16-13-9-8-12(24-18(22)19(2)3)11-15(13)20-10-6-5-7-14(16)20/h5-11,17,21H,4H2,1-3H3
InChIKeyTYOFEMJMFFPURX-UHFFFAOYSA-N
XLogP3.18
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [10-[ethoxy(hydroxy)methyl]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate?
The IUPAC name of [10-[ethoxy(hydroxy)methyl]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate (CID 123530734) is [10-[ethoxy(hydroxy)methyl]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [10-[ethoxy(hydroxy)methyl]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate?
The canonical SMILES for [10-[ethoxy(hydroxy)methyl]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate is CCOC(O)c1c2ccc(OC(=O)N(C)C)cc2n2ccccc12.
What is the InChIKey of [10-[ethoxy(hydroxy)methyl]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate?
The InChIKey is TYOFEMJMFFPURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-4-23-17(21)16-13-9-8-12(24-18(22)19(2)3)11-15(13)20-10-6-5-7-14(16)20/h5-11,17,21H,4H2,1-3H3.
What are the key properties of [10-[ethoxy(hydroxy)methyl]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate?
[10-[ethoxy(hydroxy)methyl]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate has a molecular weight of 328.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [10-[ethoxy(hydroxy)methyl]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 123530734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).