(7aS)-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione

C15H14N2O2 — CID 11368816

IUPAC(7aS)-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione
SMILESO=C1c2c(c(=O)[nH]c3ccccc23)C[C@@H]2CCCN12
InChIInChI=1S/C15H14N2O2/c18-14-11-8-9-4-3-7-17(9)15(19)13(11)10-5-1-2-6-12(10)16-14/h1-2,5-6,9H,3-4,7-8H2,(H,16,18)/t9-/m0/s1
InChIKeyXKTLJPBGUKRGDX-VIFPVBQESA-N
MW254.29 g/mol
LogP1.69
Rot. Bonds

About (7aS)-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione

(7aS)-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione (PubChem CID 11368816) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is (7aS)-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione.

Molecular Properties

Compound Name(7aS)-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione
PubChem CID11368816
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name(7aS)-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione
SMILESO=C1c2c(c(=O)[nH]c3ccccc23)C[C@@H]2CCCN12
InChIInChI=1S/C15H14N2O2/c18-14-11-8-9-4-3-7-17(9)15(19)13(11)10-5-1-2-6-12(10)16-14/h1-2,5-6,9H,3-4,7-8H2,(H,16,18)/t9-/m0/s1
InChIKeyXKTLJPBGUKRGDX-VIFPVBQESA-N
XLogP1.69
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7aS)-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione?
The IUPAC name of (7aS)-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione (CID 11368816) is (7aS)-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione.
What is the SMILES notation for (7aS)-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione?
The canonical SMILES for (7aS)-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione is O=C1c2c(c(=O)[nH]c3ccccc23)C[C@@H]2CCCN12.
What is the InChIKey of (7aS)-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione?
The InChIKey is XKTLJPBGUKRGDX-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14N2O2/c18-14-11-8-9-4-3-7-17(9)15(19)13(11)10-5-1-2-6-12(10)16-14/h1-2,5-6,9H,3-4,7-8H2,(H,16,18)/t9-/m0/s1.
What are the key properties of (7aS)-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione?
(7aS)-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione has a molecular weight of 254.29 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione is sourced from PubChem (CID 11368816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).