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

C22H20N2O4 — CID 18629313

IUPAC1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-9-methoxy-4-oxoquinolizine-3-carboxylic acid
SMILESCOc1c(-c2ccc3c(c2)CNC3)ccn2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C22H20N2O4/c1-28-20-16(13-4-5-14-10-23-11-15(14)8-13)6-7-24-19(20)17(12-2-3-12)9-18(21(24)25)22(26)27/h4-9,12,23H,2-3,10-11H2,1H3,(H,26,27)
InChIKeyQVSPVXOMISDJSS-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.15
Rot. Bonds4

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

1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-9-methoxy-4-oxoquinolizine-3-carboxylic acid (PubChem CID 18629313) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-9-methoxy-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-9-methoxy-4-oxoquinolizine-3-carboxylic acid
PubChem CID18629313
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-9-methoxy-4-oxoquinolizine-3-carboxylic acid
SMILESCOc1c(-c2ccc3c(c2)CNC3)ccn2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C22H20N2O4/c1-28-20-16(13-4-5-14-10-23-11-15(14)8-13)6-7-24-19(20)17(12-2-3-12)9-18(21(24)25)22(26)27/h4-9,12,23H,2-3,10-11H2,1H3,(H,26,27)
InChIKeyQVSPVXOMISDJSS-UHFFFAOYSA-N
XLogP3.15
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-9-methoxy-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-9-methoxy-4-oxoquinolizine-3-carboxylic acid (CID 18629313) is 1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-9-methoxy-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-9-methoxy-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-9-methoxy-4-oxoquinolizine-3-carboxylic acid is COc1c(-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-methoxy-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is QVSPVXOMISDJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-28-20-16(13-4-5-14-10-23-11-15(14)8-13)6-7-24-19(20)17(12-2-3-12)9-18(21(24)25)22(26)27/h4-9,12,23H,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-methoxy-4-oxoquinolizine-3-carboxylic acid?
1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-9-methoxy-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 376.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-9-methoxy-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 18629313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).