7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-(2H-tetrazol-5-yl)quinolin-2-one

C20H24FN7O — CID 130274796

About 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-(2H-tetrazol-5-yl)quinolin-2-one

7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-(2H-tetrazol-5-yl)quinolin-2-one (PubChem CID 130274796) has the molecular formula C20H24FN7O and a molecular weight of 397.46 g/mol. Its IUPAC name is 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-(2H-tetrazol-5-yl)quinolin-2-one.

Molecular Properties

• Compound Name: 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-(2H-tetrazol-5-yl)quinolin-2-one
• PubChem CID: 130274796
• Molecular Formula: C20H24FN7O
• Molecular Weight: 397.46 g/mol
• Exact Mass: 397.20
• IUPAC Name: 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-(2H-tetrazol-5-yl)quinolin-2-one
• SMILES: Cc1c(N2CCC([C@H](C)N)C2)c(F)cc2c(-c3nn[nH]n3)cc(=O)n(C3CC3)c12
• InChI: InChI=1S/C20H24FN7O/c1-10-18-14(7-16(21)19(10)27-6-5-12(9-27)11(2)22)15(20-23-25-26-24-20)8-17(29)28(18)13-3-4-13/h7-8,11-13H,3-6,9,22H2,1-2H3,(H,23,24,25,26)/t11-,12?/m0/s1
• InChIKey: GGZYYEXYCSIQGZ-PXYINDEMSA-N
• XLogP: 2.14
• TPSA: 105.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.46
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-(2H-tetrazol-5-yl)quinolin-2-one?

The IUPAC name of 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-(2H-tetrazol-5-yl)quinolin-2-one (CID 130274796) is 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-(2H-tetrazol-5-yl)quinolin-2-one.

What is the SMILES notation for 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-(2H-tetrazol-5-yl)quinolin-2-one?

The canonical SMILES for 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-(2H-tetrazol-5-yl)quinolin-2-one is Cc1c(N2CCC([C@H](C)N)C2)c(F)cc2c(-c3nn[nH]n3)cc(=O)n(C3CC3)c12.

What is the InChIKey of 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-(2H-tetrazol-5-yl)quinolin-2-one?

The InChIKey is GGZYYEXYCSIQGZ-PXYINDEMSA-N. The full InChI is InChI=1S/C20H24FN7O/c1-10-18-14(7-16(21)19(10)27-6-5-12(9-27)11(2)22)15(20-23-25-26-24-20)8-17(29)28(18)13-3-4-13/h7-8,11-13H,3-6,9,22H2,1-2H3,(H,23,24,25,26)/t11-,12?/m0/s1.

What are the key properties of 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-(2H-tetrazol-5-yl)quinolin-2-one?

7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-(2H-tetrazol-5-yl)quinolin-2-one has a molecular weight of 397.46 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-(2H-tetrazol-5-yl)quinolin-2-one is sourced from PubChem (CID 130274796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).