1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid

C22H20N2O4 — CID 502078

IUPAC1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
SMILESCOc1c(-c2ccc3c(c2)CNC3)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIInChI=1S/C22H20N2O4/c1-28-21-16(12-2-3-13-9-23-10-14(13)8-12)6-7-17-19(21)24(15-4-5-15)11-18(20(17)25)22(26)27/h2-3,6-8,11,15,23H,4-5,9-10H2,1H3,(H,26,27)
InChIKeyIBGWUWYVISOKHY-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.31
Rot. Bonds4

About 1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid

1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid (PubChem CID 502078) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
PubChem CID502078
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
SMILESCOc1c(-c2ccc3c(c2)CNC3)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIInChI=1S/C22H20N2O4/c1-28-21-16(12-2-3-13-9-23-10-14(13)8-12)6-7-17-19(21)24(15-4-5-15)11-18(20(17)25)22(26)27/h2-3,6-8,11,15,23H,4-5,9-10H2,1H3,(H,26,27)
InChIKeyIBGWUWYVISOKHY-UHFFFAOYSA-N
XLogP3.31
TPSA80.56 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 ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-8-methoxy-4-oxoquinoline-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-7-(2,3-dihydro-1H-isoindol-5-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid (CID 502078) is 1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid is COc1c(-c2ccc3c(c2)CNC3)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid?
The InChIKey is IBGWUWYVISOKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-28-21-16(12-2-3-13-9-23-10-14(13)8-12)6-7-17-19(21)24(15-4-5-15)11-18(20(17)25)22(26)27/h2-3,6-8,11,15,23H,4-5,9-10H2,1H3,(H,26,27).
What are the key properties of 1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid?
1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid has a molecular weight of 376.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 502078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).