N-[4-[(2-hydroxy-2-methylpropyl)amino]quinolin-3-yl]-2-methoxyacetamide;hydrochloride

C16H22ClN3O3 — CID 67204879

IUPACN-[4-[(2-hydroxy-2-methylpropyl)amino]quinolin-3-yl]-2-methoxyacetamide;hydrochloride
SMILESCOCC(=O)Nc1cnc2ccccc2c1NCC(C)(C)O.Cl
InChIInChI=1S/C16H21N3O3.ClH/c1-16(2,21)10-18-15-11-6-4-5-7-12(11)17-8-13(15)19-14(20)9-22-3;/h4-8,21H,9-10H2,1-3H3,(H,17,18)(H,19,20);1H
InChIKeyGBMCAEYJLFHDPQ-UHFFFAOYSA-N
MW339.82 g/mol
LogP2.42
Rot. Bonds6

About N-[4-[(2-hydroxy-2-methylpropyl)amino]quinolin-3-yl]-2-methoxyacetamide;hydrochloride

N-[4-[(2-hydroxy-2-methylpropyl)amino]quinolin-3-yl]-2-methoxyacetamide;hydrochloride (PubChem CID 67204879) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is N-[4-[(2-hydroxy-2-methylpropyl)amino]quinolin-3-yl]-2-methoxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(2-hydroxy-2-methylpropyl)amino]quinolin-3-yl]-2-methoxyacetamide;hydrochloride
PubChem CID67204879
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC NameN-[4-[(2-hydroxy-2-methylpropyl)amino]quinolin-3-yl]-2-methoxyacetamide;hydrochloride
SMILESCOCC(=O)Nc1cnc2ccccc2c1NCC(C)(C)O.Cl
InChIInChI=1S/C16H21N3O3.ClH/c1-16(2,21)10-18-15-11-6-4-5-7-12(11)17-8-13(15)19-14(20)9-22-3;/h4-8,21H,9-10H2,1-3H3,(H,17,18)(H,19,20);1H
InChIKeyGBMCAEYJLFHDPQ-UHFFFAOYSA-N
XLogP2.42
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-hydroxy-2-methylpropyl)amino]quinolin-3-yl]-2-methoxyacetamide;hydrochloride?
The IUPAC name of N-[4-[(2-hydroxy-2-methylpropyl)amino]quinolin-3-yl]-2-methoxyacetamide;hydrochloride (CID 67204879) is N-[4-[(2-hydroxy-2-methylpropyl)amino]quinolin-3-yl]-2-methoxyacetamide;hydrochloride.
What is the SMILES notation for N-[4-[(2-hydroxy-2-methylpropyl)amino]quinolin-3-yl]-2-methoxyacetamide;hydrochloride?
The canonical SMILES for N-[4-[(2-hydroxy-2-methylpropyl)amino]quinolin-3-yl]-2-methoxyacetamide;hydrochloride is COCC(=O)Nc1cnc2ccccc2c1NCC(C)(C)O.Cl.
What is the InChIKey of N-[4-[(2-hydroxy-2-methylpropyl)amino]quinolin-3-yl]-2-methoxyacetamide;hydrochloride?
The InChIKey is GBMCAEYJLFHDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3.ClH/c1-16(2,21)10-18-15-11-6-4-5-7-12(11)17-8-13(15)19-14(20)9-22-3;/h4-8,21H,9-10H2,1-3H3,(H,17,18)(H,19,20);1H.
What are the key properties of N-[4-[(2-hydroxy-2-methylpropyl)amino]quinolin-3-yl]-2-methoxyacetamide;hydrochloride?
N-[4-[(2-hydroxy-2-methylpropyl)amino]quinolin-3-yl]-2-methoxyacetamide;hydrochloride has a molecular weight of 339.82 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-hydroxy-2-methylpropyl)amino]quinolin-3-yl]-2-methoxyacetamide;hydrochloride is sourced from PubChem (CID 67204879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).