9-cyclopropyl-7-[3-[2-(cyclopropylamino)propan-2-yl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride

C24H30ClFN4O3S — CID 53238831

About 9-cyclopropyl-7-[3-[2-(cyclopropylamino)propan-2-yl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride

9-cyclopropyl-7-[3-[2-(cyclopropylamino)propan-2-yl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride (PubChem CID 53238831) has the molecular formula C24H30ClFN4O3S and a molecular weight of 509.05 g/mol. Its IUPAC name is 9-cyclopropyl-7-[3-[2-(cyclopropylamino)propan-2-yl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride.

Molecular Properties

• Compound Name: 9-cyclopropyl-7-[3-[2-(cyclopropylamino)propan-2-yl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride
• PubChem CID: 53238831
• Molecular Formula: C24H30ClFN4O3S
• Molecular Weight: 509.05 g/mol
• Exact Mass: 508.17
• IUPAC Name: 9-cyclopropyl-7-[3-[2-(cyclopropylamino)propan-2-yl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride
• SMILES: COc1c(N2CCC(C(C)(C)NC3CC3)C2)c(F)cc2c(=O)c3c(=O)[nH]sc3n(C3CC3)c12.Cl
• InChI: InChI=1S/C24H29FN4O3S.ClH/c1-24(2,26-13-4-5-13)12-8-9-28(11-12)19-16(25)10-15-18(21(19)32-3)29(14-6-7-14)23-17(20(15)30)22(31)27-33-23;/h10,12-14,26H,4-9,11H2,1-3H3,(H,27,31);1H
• InChIKey: QLBRDJVUMJQAFC-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 79.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.05
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-7-[3-[2-(cyclopropylamino)propan-2-yl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride?

The IUPAC name of 9-cyclopropyl-7-[3-[2-(cyclopropylamino)propan-2-yl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride (CID 53238831) is 9-cyclopropyl-7-[3-[2-(cyclopropylamino)propan-2-yl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride.

What is the SMILES notation for 9-cyclopropyl-7-[3-[2-(cyclopropylamino)propan-2-yl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride?

The canonical SMILES for 9-cyclopropyl-7-[3-[2-(cyclopropylamino)propan-2-yl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride is COc1c(N2CCC(C(C)(C)NC3CC3)C2)c(F)cc2c(=O)c3c(=O)[nH]sc3n(C3CC3)c12.Cl.

What is the InChIKey of 9-cyclopropyl-7-[3-[2-(cyclopropylamino)propan-2-yl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride?

The InChIKey is QLBRDJVUMJQAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3S.ClH/c1-24(2,26-13-4-5-13)12-8-9-28(11-12)19-16(25)10-15-18(21(19)32-3)29(14-6-7-14)23-17(20(15)30)22(31)27-33-23;/h10,12-14,26H,4-9,11H2,1-3H3,(H,27,31);1H.

What are the key properties of 9-cyclopropyl-7-[3-[2-(cyclopropylamino)propan-2-yl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride?

9-cyclopropyl-7-[3-[2-(cyclopropylamino)propan-2-yl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride has a molecular weight of 509.05 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-cyclopropyl-7-[3-[2-(cyclopropylamino)propan-2-yl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride is sourced from PubChem (CID 53238831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).