2-morpholin-4-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate

C22H19N3O5 — CID 122188473

IUPAC2-morpholin-4-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
SMILESO=C1c2cccnc2C(=O)c2c1c(C(=O)OCCN1CCOCC1)c1ccccn21
InChIInChI=1S/C22H19N3O5/c26-20-14-4-3-6-23-18(14)21(27)19-17(20)16(15-5-1-2-7-25(15)19)22(28)30-13-10-24-8-11-29-12-9-24/h1-7H,8-13H2
InChIKeyWLAKLXCQDUPBRG-UHFFFAOYSA-N
MW405.41 g/mol
LogP1.60
Rot. Bonds4

About 2-morpholin-4-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate

2-morpholin-4-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate (PubChem CID 122188473) has the molecular formula C22H19N3O5 and a molecular weight of 405.41 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
PubChem CID122188473
Molecular FormulaC22H19N3O5
Molecular Weight405.41 g/mol
Exact Mass405.13
IUPAC Name2-morpholin-4-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
SMILESO=C1c2cccnc2C(=O)c2c1c(C(=O)OCCN1CCOCC1)c1ccccn21
InChIInChI=1S/C22H19N3O5/c26-20-14-4-3-6-23-18(14)21(27)19-17(20)16(15-5-1-2-7-25(15)19)22(28)30-13-10-24-8-11-29-12-9-24/h1-7H,8-13H2
InChIKeyWLAKLXCQDUPBRG-UHFFFAOYSA-N
XLogP1.60
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
The IUPAC name of 2-morpholin-4-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate (CID 122188473) is 2-morpholin-4-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate.
What is the SMILES notation for 2-morpholin-4-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
The canonical SMILES for 2-morpholin-4-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate is O=C1c2cccnc2C(=O)c2c1c(C(=O)OCCN1CCOCC1)c1ccccn21.
What is the InChIKey of 2-morpholin-4-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
The InChIKey is WLAKLXCQDUPBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5/c26-20-14-4-3-6-23-18(14)21(27)19-17(20)16(15-5-1-2-7-25(15)19)22(28)30-13-10-24-8-11-29-12-9-24/h1-7H,8-13H2.
What are the key properties of 2-morpholin-4-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
2-morpholin-4-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate has a molecular weight of 405.41 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate is sourced from PubChem (CID 122188473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).