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

C20H21NO4 — CID 118251684

IUPAC10-cyclopropyl-6-ethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCCC1Cc2cc(OC)c(C3CC3)cc2-c2cc(=O)c(C(=O)O)cn21
InChIInChI=1S/C20H21NO4/c1-3-13-6-12-7-19(25-2)15(11-4-5-11)8-14(12)17-9-18(22)16(20(23)24)10-21(13)17/h7-11,13H,3-6H2,1-2H3,(H,23,24)
InChIKeyUASZYQDEOMTFIO-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.61
Rot. Bonds4

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

10-cyclopropyl-6-ethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (PubChem CID 118251684) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 10-cyclopropyl-6-ethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name10-cyclopropyl-6-ethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
PubChem CID118251684
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name10-cyclopropyl-6-ethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCCC1Cc2cc(OC)c(C3CC3)cc2-c2cc(=O)c(C(=O)O)cn21
InChIInChI=1S/C20H21NO4/c1-3-13-6-12-7-19(25-2)15(11-4-5-11)8-14(12)17-9-18(22)16(20(23)24)10-21(13)17/h7-11,13H,3-6H2,1-2H3,(H,23,24)
InChIKeyUASZYQDEOMTFIO-UHFFFAOYSA-N
XLogP3.61
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-cyclopropyl-6-ethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The IUPAC name of 10-cyclopropyl-6-ethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (CID 118251684) is 10-cyclopropyl-6-ethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.
What is the SMILES notation for 10-cyclopropyl-6-ethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The canonical SMILES for 10-cyclopropyl-6-ethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is CCC1Cc2cc(OC)c(C3CC3)cc2-c2cc(=O)c(C(=O)O)cn21.
What is the InChIKey of 10-cyclopropyl-6-ethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The InChIKey is UASZYQDEOMTFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-3-13-6-12-7-19(25-2)15(11-4-5-11)8-14(12)17-9-18(22)16(20(23)24)10-21(13)17/h7-11,13H,3-6H2,1-2H3,(H,23,24).
What are the key properties of 10-cyclopropyl-6-ethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
10-cyclopropyl-6-ethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid has a molecular weight of 339.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclopropyl-6-ethyl-9-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is sourced from PubChem (CID 118251684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).