2-amino-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide;hydrochloride

C22H26ClN3O3 — CID 68761041

IUPAC2-amino-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide;hydrochloride
SMILESCC(C)Oc1ccc(Oc2ccc3cc(C(C)NC(=O)CN)ccc3n2)cc1.Cl
InChIInChI=1S/C22H25N3O3.ClH/c1-14(2)27-18-6-8-19(9-7-18)28-22-11-5-17-12-16(4-10-20(17)25-22)15(3)24-21(26)13-23;/h4-12,14-15H,13,23H2,1-3H3,(H,24,26);1H
InChIKeyFHSMISXYRYAHDZ-UHFFFAOYSA-N
MW415.92 g/mol
LogP4.37
Rot. Bonds7

About 2-amino-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide;hydrochloride

2-amino-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide;hydrochloride (PubChem CID 68761041) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is 2-amino-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide;hydrochloride
PubChem CID68761041
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name2-amino-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide;hydrochloride
SMILESCC(C)Oc1ccc(Oc2ccc3cc(C(C)NC(=O)CN)ccc3n2)cc1.Cl
InChIInChI=1S/C22H25N3O3.ClH/c1-14(2)27-18-6-8-19(9-7-18)28-22-11-5-17-12-16(4-10-20(17)25-22)15(3)24-21(26)13-23;/h4-12,14-15H,13,23H2,1-3H3,(H,24,26);1H
InChIKeyFHSMISXYRYAHDZ-UHFFFAOYSA-N
XLogP4.37
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-oxo-2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethyl]acetamide
CID 60846458
3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119285649
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364080
N-[1-[2-(3-bromo-4-ethoxyphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68760152
N-[1-[2-[3-bromo-4-(2-methylpropoxy)phenoxy]quinolin-6-yl]ethyl]acetamide
CID 70833796
N-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]propanamide
CID 70833755
4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzonitrile
CID 68759568
3-[4-[6-(1-aminoethyl)quinolin-2-yl]oxyphenyl]propan-1-amine
CID 91326144
2-(4-methoxyphenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134060669
N-[1-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68758504
propyl 2-[4-(6-fluoroquinolin-2-yl)oxyphenoxy]propanoate
CID 12882387
2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 119328681

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide;hydrochloride (CID 68761041) is 2-amino-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide;hydrochloride is CC(C)Oc1ccc(Oc2ccc3cc(C(C)NC(=O)CN)ccc3n2)cc1.Cl.
What is the InChIKey of 2-amino-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide;hydrochloride?
The InChIKey is FHSMISXYRYAHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3.ClH/c1-14(2)27-18-6-8-19(9-7-18)28-22-11-5-17-12-16(4-10-20(17)25-22)15(3)24-21(26)13-23;/h4-12,14-15H,13,23H2,1-3H3,(H,24,26);1H.
What are the key properties of 2-amino-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide;hydrochloride?
2-amino-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide;hydrochloride has a molecular weight of 415.92 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 68761041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).