[1-[7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]quinolin-2-yl]piperidin-3-yl]methanol

C22H31FN4O2 — CID 118754385

IUPAC[1-[7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]quinolin-2-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2nc3cc(F)ccc3cc2CNCCN2CCOCC2)C1
InChIInChI=1S/C22H31FN4O2/c23-20-4-3-18-12-19(14-24-5-7-26-8-10-29-11-9-26)22(25-21(18)13-20)27-6-1-2-17(15-27)16-28/h3-4,12-13,17,24,28H,1-2,5-11,14-16H2
InChIKeyQNDFJRHNXBXWHV-UHFFFAOYSA-N
MW402.51 g/mol
LogP2.00
Rot. Bonds7

About [1-[7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]quinolin-2-yl]piperidin-3-yl]methanol

[1-[7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]quinolin-2-yl]piperidin-3-yl]methanol (PubChem CID 118754385) has the molecular formula C22H31FN4O2 and a molecular weight of 402.51 g/mol. Its IUPAC name is [1-[7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]quinolin-2-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]quinolin-2-yl]piperidin-3-yl]methanol
PubChem CID118754385
Molecular FormulaC22H31FN4O2
Molecular Weight402.51 g/mol
Exact Mass402.24
IUPAC Name[1-[7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]quinolin-2-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2nc3cc(F)ccc3cc2CNCCN2CCOCC2)C1
InChIInChI=1S/C22H31FN4O2/c23-20-4-3-18-12-19(14-24-5-7-26-8-10-29-11-9-26)22(25-21(18)13-20)27-6-1-2-17(15-27)16-28/h3-4,12-13,17,24,28H,1-2,5-11,14-16H2
InChIKeyQNDFJRHNXBXWHV-UHFFFAOYSA-N
XLogP2.00
TPSA60.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]quinolin-2-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]quinolin-2-yl]piperidin-3-yl]methanol (CID 118754385) is [1-[7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]quinolin-2-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]quinolin-2-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]quinolin-2-yl]piperidin-3-yl]methanol is OCC1CCCN(c2nc3cc(F)ccc3cc2CNCCN2CCOCC2)C1.
What is the InChIKey of [1-[7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]quinolin-2-yl]piperidin-3-yl]methanol?
The InChIKey is QNDFJRHNXBXWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN4O2/c23-20-4-3-18-12-19(14-24-5-7-26-8-10-29-11-9-26)22(25-21(18)13-20)27-6-1-2-17(15-27)16-28/h3-4,12-13,17,24,28H,1-2,5-11,14-16H2.
What are the key properties of [1-[7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]quinolin-2-yl]piperidin-3-yl]methanol?
[1-[7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]quinolin-2-yl]piperidin-3-yl]methanol has a molecular weight of 402.51 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]quinolin-2-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 118754385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).