2-[[1-[6-(2-amino-3-pyridinyl)-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-yl]amino]ethanol

C27H27F2N5O — CID 145443375

IUPAC2-[[1-[6-(2-amino-3-pyridinyl)-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-yl]amino]ethanol
SMILESNc1ncccc1-c1ccc2ncc(-c3cc(F)cc(F)c3)c(N3CCC(NCCO)CC3)c2c1
InChIInChI=1S/C27H27F2N5O/c28-19-12-18(13-20(29)15-19)24-16-33-25-4-3-17(22-2-1-7-32-27(22)30)14-23(25)26(24)34-9-5-21(6-10-34)31-8-11-35/h1-4,7,12-16,21,31,35H,5-6,8-11H2,(H2,30,32)
InChIKeyOWCKARVFQPRQOR-UHFFFAOYSA-N
MW475.54 g/mol
LogP4.37
Rot. Bonds6

About 2-[[1-[6-(2-amino-3-pyridinyl)-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-yl]amino]ethanol

2-[[1-[6-(2-amino-3-pyridinyl)-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-yl]amino]ethanol (PubChem CID 145443375) has the molecular formula C27H27F2N5O and a molecular weight of 475.54 g/mol. Its IUPAC name is 2-[[1-[6-(2-amino-3-pyridinyl)-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-[6-(2-amino-3-pyridinyl)-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-yl]amino]ethanol
PubChem CID145443375
Molecular FormulaC27H27F2N5O
Molecular Weight475.54 g/mol
Exact Mass475.22
IUPAC Name2-[[1-[6-(2-amino-3-pyridinyl)-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-yl]amino]ethanol
SMILESNc1ncccc1-c1ccc2ncc(-c3cc(F)cc(F)c3)c(N3CCC(NCCO)CC3)c2c1
InChIInChI=1S/C27H27F2N5O/c28-19-12-18(13-20(29)15-19)24-16-33-25-4-3-17(22-2-1-7-32-27(22)30)14-23(25)26(24)34-9-5-21(6-10-34)31-8-11-35/h1-4,7,12-16,21,31,35H,5-6,8-11H2,(H2,30,32)
InChIKeyOWCKARVFQPRQOR-UHFFFAOYSA-N
XLogP4.37
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.54
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[6-(2-amino-3-pyridinyl)-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[1-[6-(2-amino-3-pyridinyl)-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-yl]amino]ethanol (CID 145443375) is 2-[[1-[6-(2-amino-3-pyridinyl)-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[1-[6-(2-amino-3-pyridinyl)-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[1-[6-(2-amino-3-pyridinyl)-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-yl]amino]ethanol is Nc1ncccc1-c1ccc2ncc(-c3cc(F)cc(F)c3)c(N3CCC(NCCO)CC3)c2c1.
What is the InChIKey of 2-[[1-[6-(2-amino-3-pyridinyl)-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-yl]amino]ethanol?
The InChIKey is OWCKARVFQPRQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N5O/c28-19-12-18(13-20(29)15-19)24-16-33-25-4-3-17(22-2-1-7-32-27(22)30)14-23(25)26(24)34-9-5-21(6-10-34)31-8-11-35/h1-4,7,12-16,21,31,35H,5-6,8-11H2,(H2,30,32).
What are the key properties of 2-[[1-[6-(2-amino-3-pyridinyl)-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-yl]amino]ethanol?
2-[[1-[6-(2-amino-3-pyridinyl)-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-yl]amino]ethanol has a molecular weight of 475.54 g/mol, XLogP of 4.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[6-(2-amino-3-pyridinyl)-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-yl]amino]ethanol is sourced from PubChem (CID 145443375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).