6-ethyl-10-methoxy-2-oxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

C20H23NO4 — CID 118251802

IUPAC6-ethyl-10-methoxy-2-oxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCCCc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1C(CC)C2
InChIInChI=1S/C20H23NO4/c1-4-6-12-7-13-8-14(5-2)21-11-16(20(23)24)18(22)10-17(21)15(13)9-19(12)25-3/h7,9-11,14H,4-6,8H2,1-3H3,(H,23,24)
InChIKeyDODPNUPHPQSVMK-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.68
Rot. Bonds5

About 6-ethyl-10-methoxy-2-oxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

6-ethyl-10-methoxy-2-oxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (PubChem CID 118251802) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 6-ethyl-10-methoxy-2-oxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-10-methoxy-2-oxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
PubChem CID118251802
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name6-ethyl-10-methoxy-2-oxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCCCc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1C(CC)C2
InChIInChI=1S/C20H23NO4/c1-4-6-12-7-13-8-14(5-2)21-11-16(20(23)24)18(22)10-17(21)15(13)9-19(12)25-3/h7,9-11,14H,4-6,8H2,1-3H3,(H,23,24)
InChIKeyDODPNUPHPQSVMK-UHFFFAOYSA-N
XLogP3.68
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-10-methoxy-2-oxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The IUPAC name of 6-ethyl-10-methoxy-2-oxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (CID 118251802) is 6-ethyl-10-methoxy-2-oxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.
What is the SMILES notation for 6-ethyl-10-methoxy-2-oxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The canonical SMILES for 6-ethyl-10-methoxy-2-oxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is CCCc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1C(CC)C2.
What is the InChIKey of 6-ethyl-10-methoxy-2-oxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The InChIKey is DODPNUPHPQSVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-6-12-7-13-8-14(5-2)21-11-16(20(23)24)18(22)10-17(21)15(13)9-19(12)25-3/h7,9-11,14H,4-6,8H2,1-3H3,(H,23,24).
What are the key properties of 6-ethyl-10-methoxy-2-oxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
6-ethyl-10-methoxy-2-oxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-10-methoxy-2-oxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is sourced from PubChem (CID 118251802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).