1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid

C22H20N2O3 — CID 18629328

IUPAC1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCc1c(-c2ccc3c(c2)CNC3)ccn2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C22H20N2O3/c1-12-17(14-4-5-15-10-23-11-16(15)8-14)6-7-24-20(12)18(13-2-3-13)9-19(21(24)25)22(26)27/h4-9,13,23H,2-3,10-11H2,1H3,(H,26,27)
InChIKeyRHTPORVKPVIIDX-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.45
Rot. Bonds3

About 1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid

1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid (PubChem CID 18629328) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid
PubChem CID18629328
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCc1c(-c2ccc3c(c2)CNC3)ccn2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C22H20N2O3/c1-12-17(14-4-5-15-10-23-11-16(15)8-14)6-7-24-20(12)18(13-2-3-13)9-19(21(24)25)22(26)27/h4-9,13,23H,2-3,10-11H2,1H3,(H,26,27)
InChIKeyRHTPORVKPVIIDX-UHFFFAOYSA-N
XLogP3.45
TPSA70.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid (CID 18629328) is 1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid is Cc1c(-c2ccc3c(c2)CNC3)ccn2c(=O)c(C(=O)O)cc(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is RHTPORVKPVIIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-12-17(14-4-5-15-10-23-11-16(15)8-14)6-7-24-20(12)18(13-2-3-13)9-19(21(24)25)22(26)27/h4-9,13,23H,2-3,10-11H2,1H3,(H,26,27).
What are the key properties of 1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid?
1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 360.41 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 18629328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).