(2-hydroxy-2-methylpropyl) N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate;hydrochloride

C22H34ClN3O6 — CID 19913805

IUPAC(2-hydroxy-2-methylpropyl) N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate;hydrochloride
SMILESCC(C)(O)COC(=O)NC1CCN(CC(O)COc2cccc3c2CCC(=O)N3)CC1.Cl
InChIInChI=1S/C22H33N3O6.ClH/c1-22(2,29)14-31-21(28)23-15-8-10-25(11-9-15)12-16(26)13-30-19-5-3-4-18-17(19)6-7-20(27)24-18;/h3-5,15-16,26,29H,6-14H2,1-2H3,(H,23,28)(H,24,27);1H
InChIKeyYQSWMJAGTWCZEI-UHFFFAOYSA-N
MW471.98 g/mol
LogP1.69
Rot. Bonds8

About (2-hydroxy-2-methylpropyl) N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate;hydrochloride

(2-hydroxy-2-methylpropyl) N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate;hydrochloride (PubChem CID 19913805) has the molecular formula C22H34ClN3O6 and a molecular weight of 471.98 g/mol. Its IUPAC name is (2-hydroxy-2-methylpropyl) N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate;hydrochloride.

Molecular Properties

Compound Name(2-hydroxy-2-methylpropyl) N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate;hydrochloride
PubChem CID19913805
Molecular FormulaC22H34ClN3O6
Molecular Weight471.98 g/mol
Exact Mass471.21
IUPAC Name(2-hydroxy-2-methylpropyl) N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate;hydrochloride
SMILESCC(C)(O)COC(=O)NC1CCN(CC(O)COc2cccc3c2CCC(=O)N3)CC1.Cl
InChIInChI=1S/C22H33N3O6.ClH/c1-22(2,29)14-31-21(28)23-15-8-10-25(11-9-15)12-16(26)13-30-19-5-3-4-18-17(19)6-7-20(27)24-18;/h3-5,15-16,26,29H,6-14H2,1-2H3,(H,23,28)(H,24,27);1H
InChIKeyYQSWMJAGTWCZEI-UHFFFAOYSA-N
XLogP1.69
TPSA120.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.98
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-methylpropyl) N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate;hydrochloride?
The IUPAC name of (2-hydroxy-2-methylpropyl) N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate;hydrochloride (CID 19913805) is (2-hydroxy-2-methylpropyl) N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate;hydrochloride.
What is the SMILES notation for (2-hydroxy-2-methylpropyl) N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate;hydrochloride?
The canonical SMILES for (2-hydroxy-2-methylpropyl) N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate;hydrochloride is CC(C)(O)COC(=O)NC1CCN(CC(O)COc2cccc3c2CCC(=O)N3)CC1.Cl.
What is the InChIKey of (2-hydroxy-2-methylpropyl) N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate;hydrochloride?
The InChIKey is YQSWMJAGTWCZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O6.ClH/c1-22(2,29)14-31-21(28)23-15-8-10-25(11-9-15)12-16(26)13-30-19-5-3-4-18-17(19)6-7-20(27)24-18;/h3-5,15-16,26,29H,6-14H2,1-2H3,(H,23,28)(H,24,27);1H.
What are the key properties of (2-hydroxy-2-methylpropyl) N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate;hydrochloride?
(2-hydroxy-2-methylpropyl) N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate;hydrochloride has a molecular weight of 471.98 g/mol, XLogP of 1.69, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-methylpropyl) N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate;hydrochloride is sourced from PubChem (CID 19913805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).