ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate

C18H24N2O2 — CID 24829335

IUPACethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate
SMILESCCOC(=O)c1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3
InChIInChI=1S/C18H24N2O2/c1-5-22-17(21)16-10-15-14(20-16)9-11-8-12(18(2,3)4)6-7-13(11)19-15/h9-10,12,20H,5-8H2,1-4H3
InChIKeyCHDCGDMSYBABDM-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.89
Rot. Bonds2

About ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate

ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate (PubChem CID 24829335) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate
PubChem CID24829335
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Nameethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate
SMILESCCOC(=O)c1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3
InChIInChI=1S/C18H24N2O2/c1-5-22-17(21)16-10-15-14(20-16)9-11-8-12(18(2,3)4)6-7-13(11)19-15/h9-10,12,20H,5-8H2,1-4H3
InChIKeyCHDCGDMSYBABDM-UHFFFAOYSA-N
XLogP3.89
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?
The IUPAC name of ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate (CID 24829335) is ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate.
What is the SMILES notation for ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?
The canonical SMILES for ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate is CCOC(=O)c1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3.
What is the InChIKey of ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?
The InChIKey is CHDCGDMSYBABDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-5-22-17(21)16-10-15-14(20-16)9-11-8-12(18(2,3)4)6-7-13(11)19-15/h9-10,12,20H,5-8H2,1-4H3.
What are the key properties of ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?
ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate is sourced from PubChem (CID 24829335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).