[3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-2-hydroxyphenyl]-(azetidin-1-yl)methanone

C31H31FN4O2 — CID 134255290

About [3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-2-hydroxyphenyl]-(azetidin-1-yl)methanone

[3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-2-hydroxyphenyl]-(azetidin-1-yl)methanone (PubChem CID 134255290) has the molecular formula C31H31FN4O2 and a molecular weight of 510.61 g/mol. Its IUPAC name is [3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-2-hydroxyphenyl]-(azetidin-1-yl)methanone.

Molecular Properties

• Compound Name: [3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-2-hydroxyphenyl]-(azetidin-1-yl)methanone
• PubChem CID: 134255290
• Molecular Formula: C31H31FN4O2
• Molecular Weight: 510.61 g/mol
• Exact Mass: 510.24
• IUPAC Name: [3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-2-hydroxyphenyl]-(azetidin-1-yl)methanone
• SMILES: Cc1cc(F)cc(-c2cnc3ccc(-c4cccc(C(=O)N5CCC5)c4O)cc3c2N2CCC(N)CC2)c1
• InChI: InChI=1S/C31H31FN4O2/c1-19-14-21(16-22(32)15-19)27-18-34-28-7-6-20(17-26(28)29(27)35-12-8-23(33)9-13-35)24-4-2-5-25(30(24)37)31(38)36-10-3-11-36/h2,4-7,14-18,23,37H,3,8-13,33H2,1H3
• InChIKey: HFAPRDSBZBOSLL-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 82.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.61
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-2-hydroxyphenyl]-(azetidin-1-yl)methanone?

The IUPAC name of [3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-2-hydroxyphenyl]-(azetidin-1-yl)methanone (CID 134255290) is [3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-2-hydroxyphenyl]-(azetidin-1-yl)methanone.

What is the SMILES notation for [3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-2-hydroxyphenyl]-(azetidin-1-yl)methanone?

The canonical SMILES for [3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-2-hydroxyphenyl]-(azetidin-1-yl)methanone is Cc1cc(F)cc(-c2cnc3ccc(-c4cccc(C(=O)N5CCC5)c4O)cc3c2N2CCC(N)CC2)c1.

What is the InChIKey of [3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-2-hydroxyphenyl]-(azetidin-1-yl)methanone?

The InChIKey is HFAPRDSBZBOSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31FN4O2/c1-19-14-21(16-22(32)15-19)27-18-34-28-7-6-20(17-26(28)29(27)35-12-8-23(33)9-13-35)24-4-2-5-25(30(24)37)31(38)36-10-3-11-36/h2,4-7,14-18,23,37H,3,8-13,33H2,1H3.

What are the key properties of [3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-2-hydroxyphenyl]-(azetidin-1-yl)methanone?

[3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-2-hydroxyphenyl]-(azetidin-1-yl)methanone has a molecular weight of 510.61 g/mol, XLogP of 5.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-2-hydroxyphenyl]-(azetidin-1-yl)methanone is sourced from PubChem (CID 134255290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).