(6R)-6-tert-butyl-10-ethyl-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid

C22H23NO4 — CID 146514402

IUPAC(6R)-6-tert-butyl-10-ethyl-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid
SMILESCCc1ccc2c3c(oc2c1)-c1cc(=O)c(C(=O)O)cn1[C@@H](C(C)(C)C)C3
InChIInChI=1S/C22H23NO4/c1-5-12-6-7-13-14-9-19(22(2,3)4)23-11-15(21(25)26)17(24)10-16(23)20(14)27-18(13)8-12/h6-8,10-11,19H,5,9H2,1-4H3,(H,25,26)/t19-/m1/s1
InChIKeyBSBNGNZWJKANPM-LJQANCHMSA-N
MW365.43 g/mol
LogP4.67
Rot. Bonds2

About (6R)-6-tert-butyl-10-ethyl-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid

(6R)-6-tert-butyl-10-ethyl-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid (PubChem CID 146514402) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is (6R)-6-tert-butyl-10-ethyl-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name(6R)-6-tert-butyl-10-ethyl-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid
PubChem CID146514402
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name(6R)-6-tert-butyl-10-ethyl-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid
SMILESCCc1ccc2c3c(oc2c1)-c1cc(=O)c(C(=O)O)cn1[C@@H](C(C)(C)C)C3
InChIInChI=1S/C22H23NO4/c1-5-12-6-7-13-14-9-19(22(2,3)4)23-11-15(21(25)26)17(24)10-16(23)20(14)27-18(13)8-12/h6-8,10-11,19H,5,9H2,1-4H3,(H,25,26)/t19-/m1/s1
InChIKeyBSBNGNZWJKANPM-LJQANCHMSA-N
XLogP4.67
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-tert-butyl-10-ethyl-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid?
The IUPAC name of (6R)-6-tert-butyl-10-ethyl-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid (CID 146514402) is (6R)-6-tert-butyl-10-ethyl-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid.
What is the SMILES notation for (6R)-6-tert-butyl-10-ethyl-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid?
The canonical SMILES for (6R)-6-tert-butyl-10-ethyl-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid is CCc1ccc2c3c(oc2c1)-c1cc(=O)c(C(=O)O)cn1[C@@H](C(C)(C)C)C3.
What is the InChIKey of (6R)-6-tert-butyl-10-ethyl-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid?
The InChIKey is BSBNGNZWJKANPM-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23NO4/c1-5-12-6-7-13-14-9-19(22(2,3)4)23-11-15(21(25)26)17(24)10-16(23)20(14)27-18(13)8-12/h6-8,10-11,19H,5,9H2,1-4H3,(H,25,26)/t19-/m1/s1.
What are the key properties of (6R)-6-tert-butyl-10-ethyl-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid?
(6R)-6-tert-butyl-10-ethyl-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid has a molecular weight of 365.43 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-tert-butyl-10-ethyl-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid is sourced from PubChem (CID 146514402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).