2-amino-2-(oxan-4-yl)-N-(3-quinolin-8-yloxypropyl)acetamide;dihydrochloride

C19H27Cl2N3O3 — CID 120800029

IUPAC2-amino-2-(oxan-4-yl)-N-(3-quinolin-8-yloxypropyl)acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NCCCOc1cccc2cccnc12)C1CCOCC1
InChIInChI=1S/C19H25N3O3.2ClH/c20-17(14-7-12-24-13-8-14)19(23)22-10-3-11-25-16-6-1-4-15-5-2-9-21-18(15)16;;/h1-2,4-6,9,14,17H,3,7-8,10-13,20H2,(H,22,23);2*1H
InChIKeyIDLJWCSPASLCMD-UHFFFAOYSA-N
MW416.35 g/mol
LogP2.72
Rot. Bonds7

About 2-amino-2-(oxan-4-yl)-N-(3-quinolin-8-yloxypropyl)acetamide;dihydrochloride

2-amino-2-(oxan-4-yl)-N-(3-quinolin-8-yloxypropyl)acetamide;dihydrochloride (PubChem CID 120800029) has the molecular formula C19H27Cl2N3O3 and a molecular weight of 416.35 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-(3-quinolin-8-yloxypropyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-(3-quinolin-8-yloxypropyl)acetamide;dihydrochloride
PubChem CID120800029
Molecular FormulaC19H27Cl2N3O3
Molecular Weight416.35 g/mol
Exact Mass415.14
IUPAC Name2-amino-2-(oxan-4-yl)-N-(3-quinolin-8-yloxypropyl)acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NCCCOc1cccc2cccnc12)C1CCOCC1
InChIInChI=1S/C19H25N3O3.2ClH/c20-17(14-7-12-24-13-8-14)19(23)22-10-3-11-25-16-6-1-4-15-5-2-9-21-18(15)16;;/h1-2,4-6,9,14,17H,3,7-8,10-13,20H2,(H,22,23);2*1H
InChIKeyIDLJWCSPASLCMD-UHFFFAOYSA-N
XLogP2.72
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787041
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786171
2-phenylsulfanyl-N-(3-quinolin-8-yloxypropyl)propanamide
CID 56543299
1-cyclopropyl-N-(2-quinolin-8-yloxyethyl)ethanamine
CID 62598191
2-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799114
(2S)-N-(2-quinolin-8-yloxyethyl)-1,4-dioxane-2-carboxamide
CID 125176289
N-(3-ethoxypropyl)-2-quinolin-8-yloxyacetamide
CID 71408811
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
2-amino-N-[2-(2,6-dichlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789587
2-amino-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797991
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 120790435

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-(3-quinolin-8-yloxypropyl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-(3-quinolin-8-yloxypropyl)acetamide;dihydrochloride (CID 120800029) is 2-amino-2-(oxan-4-yl)-N-(3-quinolin-8-yloxypropyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-(3-quinolin-8-yloxypropyl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-(3-quinolin-8-yloxypropyl)acetamide;dihydrochloride is Cl.Cl.NC(C(=O)NCCCOc1cccc2cccnc12)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-(3-quinolin-8-yloxypropyl)acetamide;dihydrochloride?
The InChIKey is IDLJWCSPASLCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3.2ClH/c20-17(14-7-12-24-13-8-14)19(23)22-10-3-11-25-16-6-1-4-15-5-2-9-21-18(15)16;;/h1-2,4-6,9,14,17H,3,7-8,10-13,20H2,(H,22,23);2*1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-(3-quinolin-8-yloxypropyl)acetamide;dihydrochloride?
2-amino-2-(oxan-4-yl)-N-(3-quinolin-8-yloxypropyl)acetamide;dihydrochloride has a molecular weight of 416.35 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-(3-quinolin-8-yloxypropyl)acetamide;dihydrochloride is sourced from PubChem (CID 120800029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).