ethyl 2-ethoxy-4-methyl-3,3a,9,9a-tetrahydropyrrolo[3,2-b]quinoline-3-carboxylate

C17H22N2O3 — CID 58241278

IUPACethyl 2-ethoxy-4-methyl-3,3a,9,9a-tetrahydropyrrolo[3,2-b]quinoline-3-carboxylate
SMILESCCOC(=O)C1C(OCC)=NC2Cc3ccccc3N(C)C21
InChIInChI=1S/C17H22N2O3/c1-4-21-16-14(17(20)22-5-2)15-12(18-16)10-11-8-6-7-9-13(11)19(15)3/h6-9,12,14-15H,4-5,10H2,1-3H3
InChIKeyUCKFAVFOUKWFNI-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.04
Rot. Bonds3

About ethyl 2-ethoxy-4-methyl-3,3a,9,9a-tetrahydropyrrolo[3,2-b]quinoline-3-carboxylate

ethyl 2-ethoxy-4-methyl-3,3a,9,9a-tetrahydropyrrolo[3,2-b]quinoline-3-carboxylate (PubChem CID 58241278) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is ethyl 2-ethoxy-4-methyl-3,3a,9,9a-tetrahydropyrrolo[3,2-b]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethoxy-4-methyl-3,3a,9,9a-tetrahydropyrrolo[3,2-b]quinoline-3-carboxylate
PubChem CID58241278
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Nameethyl 2-ethoxy-4-methyl-3,3a,9,9a-tetrahydropyrrolo[3,2-b]quinoline-3-carboxylate
SMILESCCOC(=O)C1C(OCC)=NC2Cc3ccccc3N(C)C21
InChIInChI=1S/C17H22N2O3/c1-4-21-16-14(17(20)22-5-2)15-12(18-16)10-11-8-6-7-9-13(11)19(15)3/h6-9,12,14-15H,4-5,10H2,1-3H3
InChIKeyUCKFAVFOUKWFNI-UHFFFAOYSA-N
XLogP2.04
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-4-methyl-3,3a,9,9a-tetrahydropyrrolo[3,2-b]quinoline-3-carboxylate?
The IUPAC name of ethyl 2-ethoxy-4-methyl-3,3a,9,9a-tetrahydropyrrolo[3,2-b]quinoline-3-carboxylate (CID 58241278) is ethyl 2-ethoxy-4-methyl-3,3a,9,9a-tetrahydropyrrolo[3,2-b]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-ethoxy-4-methyl-3,3a,9,9a-tetrahydropyrrolo[3,2-b]quinoline-3-carboxylate?
The canonical SMILES for ethyl 2-ethoxy-4-methyl-3,3a,9,9a-tetrahydropyrrolo[3,2-b]quinoline-3-carboxylate is CCOC(=O)C1C(OCC)=NC2Cc3ccccc3N(C)C21.
What is the InChIKey of ethyl 2-ethoxy-4-methyl-3,3a,9,9a-tetrahydropyrrolo[3,2-b]quinoline-3-carboxylate?
The InChIKey is UCKFAVFOUKWFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-4-21-16-14(17(20)22-5-2)15-12(18-16)10-11-8-6-7-9-13(11)19(15)3/h6-9,12,14-15H,4-5,10H2,1-3H3.
What are the key properties of ethyl 2-ethoxy-4-methyl-3,3a,9,9a-tetrahydropyrrolo[3,2-b]quinoline-3-carboxylate?
ethyl 2-ethoxy-4-methyl-3,3a,9,9a-tetrahydropyrrolo[3,2-b]quinoline-3-carboxylate has a molecular weight of 302.37 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-4-methyl-3,3a,9,9a-tetrahydropyrrolo[3,2-b]quinoline-3-carboxylate is sourced from PubChem (CID 58241278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).