7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-5,8-dimethylquinazoline-2,4-dione

C19H25FN4O2 — CID 59074304

About 7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-5,8-dimethylquinazoline-2,4-dione

7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-5,8-dimethylquinazoline-2,4-dione (PubChem CID 59074304) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-5,8-dimethylquinazoline-2,4-dione.

Molecular Properties

• Compound Name: 7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-5,8-dimethylquinazoline-2,4-dione
• PubChem CID: 59074304
• Molecular Formula: C19H25FN4O2
• Molecular Weight: 360.43 g/mol
• Exact Mass: 360.20
• IUPAC Name: 7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-5,8-dimethylquinazoline-2,4-dione
• SMILES: Cc1c(F)c(N2CCC(C(C)N)C2)c(C)c2c1c(=O)[nH]c(=O)n2C1CC1
• InChI: InChI=1S/C19H25FN4O2/c1-9-14-16(24(13-4-5-13)19(26)22-18(14)25)10(2)17(15(9)20)23-7-6-12(8-23)11(3)21/h11-13H,4-8,21H2,1-3H3,(H,22,25,26)
• InChIKey: BVAUNPJZCLZYIS-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 84.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.43
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-5,8-dimethylquinazoline-2,4-dione?

The IUPAC name of 7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-5,8-dimethylquinazoline-2,4-dione (CID 59074304) is 7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-5,8-dimethylquinazoline-2,4-dione.

What is the SMILES notation for 7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-5,8-dimethylquinazoline-2,4-dione?

The canonical SMILES for 7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-5,8-dimethylquinazoline-2,4-dione is Cc1c(F)c(N2CCC(C(C)N)C2)c(C)c2c1c(=O)[nH]c(=O)n2C1CC1.

What is the InChIKey of 7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-5,8-dimethylquinazoline-2,4-dione?

The InChIKey is BVAUNPJZCLZYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-9-14-16(24(13-4-5-13)19(26)22-18(14)25)10(2)17(15(9)20)23-7-6-12(8-23)11(3)21/h11-13H,4-8,21H2,1-3H3,(H,22,25,26).

What are the key properties of 7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-5,8-dimethylquinazoline-2,4-dione?

7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-5,8-dimethylquinazoline-2,4-dione has a molecular weight of 360.43 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-5,8-dimethylquinazoline-2,4-dione is sourced from PubChem (CID 59074304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).