9-cyclopropyl-8-methoxy-7-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

C24H23N3O3S — CID 11996802

IUPAC9-cyclopropyl-8-methoxy-7-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCOc1c(-c2ccc3c(c2)CCN(C)C3)ccc2c(=O)c3c(=O)[nH]sc3n(C3CC3)c12
InChIInChI=1S/C24H23N3O3S/c1-26-10-9-13-11-14(3-4-15(13)12-26)17-7-8-18-20(22(17)30-2)27(16-5-6-16)24-19(21(18)28)23(29)25-31-24/h3-4,7-8,11,16H,5-6,9-10,12H2,1-2H3,(H,25,29)
InChIKeyXLBYTAPZBQPYPC-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.90
Rot. Bonds3

About 9-cyclopropyl-8-methoxy-7-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

9-cyclopropyl-8-methoxy-7-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 11996802) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 9-cyclopropyl-8-methoxy-7-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name9-cyclopropyl-8-methoxy-7-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID11996802
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name9-cyclopropyl-8-methoxy-7-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCOc1c(-c2ccc3c(c2)CCN(C)C3)ccc2c(=O)c3c(=O)[nH]sc3n(C3CC3)c12
InChIInChI=1S/C24H23N3O3S/c1-26-10-9-13-11-14(3-4-15(13)12-26)17-7-8-18-20(22(17)30-2)27(16-5-6-16)24-19(21(18)28)23(29)25-31-24/h3-4,7-8,11,16H,5-6,9-10,12H2,1-2H3,(H,25,29)
InChIKeyXLBYTAPZBQPYPC-UHFFFAOYSA-N
XLogP3.90
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-8-methoxy-7-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 9-cyclopropyl-8-methoxy-7-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 11996802) is 9-cyclopropyl-8-methoxy-7-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 9-cyclopropyl-8-methoxy-7-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 9-cyclopropyl-8-methoxy-7-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is COc1c(-c2ccc3c(c2)CCN(C)C3)ccc2c(=O)c3c(=O)[nH]sc3n(C3CC3)c12.
What is the InChIKey of 9-cyclopropyl-8-methoxy-7-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is XLBYTAPZBQPYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-26-10-9-13-11-14(3-4-15(13)12-26)17-7-8-18-20(22(17)30-2)27(16-5-6-16)24-19(21(18)28)23(29)25-31-24/h3-4,7-8,11,16H,5-6,9-10,12H2,1-2H3,(H,25,29).
What are the key properties of 9-cyclopropyl-8-methoxy-7-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
9-cyclopropyl-8-methoxy-7-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 433.53 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-8-methoxy-7-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 11996802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).