1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 4-[(dimethylamino)methyl]benzoate

C29H29N3O3 — CID 54178196

IUPAC1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 4-[(dimethylamino)methyl]benzoate
SMILESCCC(OC(=O)c1ccc(CN(C)C)cc1)c1cc2n(c(=O)c1C)Cc1cc3ccccc3nc1-2
InChIInChI=1S/C29H29N3O3/c1-5-26(35-29(34)20-12-10-19(11-13-20)16-31(3)4)23-15-25-27-22(17-32(25)28(33)18(23)2)14-21-8-6-7-9-24(21)30-27/h6-15,26H,5,16-17H2,1-4H3
InChIKeyOZXUAXMPTKVOSJ-UHFFFAOYSA-N
MW467.57 g/mol
LogP5.10
Rot. Bonds6

About 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 4-[(dimethylamino)methyl]benzoate

1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 4-[(dimethylamino)methyl]benzoate (PubChem CID 54178196) has the molecular formula C29H29N3O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 4-[(dimethylamino)methyl]benzoate.

Molecular Properties

Compound Name1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 4-[(dimethylamino)methyl]benzoate
PubChem CID54178196
Molecular FormulaC29H29N3O3
Molecular Weight467.57 g/mol
Exact Mass467.22
IUPAC Name1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 4-[(dimethylamino)methyl]benzoate
SMILESCCC(OC(=O)c1ccc(CN(C)C)cc1)c1cc2n(c(=O)c1C)Cc1cc3ccccc3nc1-2
InChIInChI=1S/C29H29N3O3/c1-5-26(35-29(34)20-12-10-19(11-13-20)16-31(3)4)23-15-25-27-22(17-32(25)28(33)18(23)2)14-21-8-6-7-9-24(21)30-27/h6-15,26H,5,16-17H2,1-4H3
InChIKeyOZXUAXMPTKVOSJ-UHFFFAOYSA-N
XLogP5.10
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 4-[(dimethylamino)methyl]benzoate?
The IUPAC name of 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 4-[(dimethylamino)methyl]benzoate (CID 54178196) is 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 4-[(dimethylamino)methyl]benzoate.
What is the SMILES notation for 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 4-[(dimethylamino)methyl]benzoate?
The canonical SMILES for 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 4-[(dimethylamino)methyl]benzoate is CCC(OC(=O)c1ccc(CN(C)C)cc1)c1cc2n(c(=O)c1C)Cc1cc3ccccc3nc1-2.
What is the InChIKey of 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 4-[(dimethylamino)methyl]benzoate?
The InChIKey is OZXUAXMPTKVOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O3/c1-5-26(35-29(34)20-12-10-19(11-13-20)16-31(3)4)23-15-25-27-22(17-32(25)28(33)18(23)2)14-21-8-6-7-9-24(21)30-27/h6-15,26H,5,16-17H2,1-4H3.
What are the key properties of 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 4-[(dimethylamino)methyl]benzoate?
1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 4-[(dimethylamino)methyl]benzoate has a molecular weight of 467.57 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 4-[(dimethylamino)methyl]benzoate is sourced from PubChem (CID 54178196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).