2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]phenol

C26H23F2N3O — CID 140836984

IUPAC2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]phenol
SMILESNC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4ccccc4O)cc23)CC1
InChIInChI=1S/C26H23F2N3O/c27-18-11-17(12-19(28)14-18)23-15-30-24-6-5-16(21-3-1-2-4-25(21)32)13-22(24)26(23)31-9-7-20(29)8-10-31/h1-6,11-15,20,32H,7-10,29H2
InChIKeyISEVDBBZOFRQNF-UHFFFAOYSA-N
MW431.49 g/mol
LogP5.48
Rot. Bonds3

About 2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]phenol

2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]phenol (PubChem CID 140836984) has the molecular formula C26H23F2N3O and a molecular weight of 431.49 g/mol. Its IUPAC name is 2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]phenol.

Molecular Properties

Compound Name2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]phenol
PubChem CID140836984
Molecular FormulaC26H23F2N3O
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]phenol
SMILESNC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4ccccc4O)cc23)CC1
InChIInChI=1S/C26H23F2N3O/c27-18-11-17(12-19(28)14-18)23-15-30-24-6-5-16(21-3-1-2-4-25(21)32)13-22(24)26(23)31-9-7-20(29)8-10-31/h1-6,11-15,20,32H,7-10,29H2
InChIKeyISEVDBBZOFRQNF-UHFFFAOYSA-N
XLogP5.48
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.49
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]phenol?
The IUPAC name of 2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]phenol (CID 140836984) is 2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]phenol.
What is the SMILES notation for 2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]phenol?
The canonical SMILES for 2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]phenol is NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4ccccc4O)cc23)CC1.
What is the InChIKey of 2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]phenol?
The InChIKey is ISEVDBBZOFRQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O/c27-18-11-17(12-19(28)14-18)23-15-30-24-6-5-16(21-3-1-2-4-25(21)32)13-22(24)26(23)31-9-7-20(29)8-10-31/h1-6,11-15,20,32H,7-10,29H2.
What are the key properties of 2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]phenol?
2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]phenol has a molecular weight of 431.49 g/mol, XLogP of 5.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]phenol is sourced from PubChem (CID 140836984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).