2-(5-aminoquinolin-8-yl)oxy-N-(3-methylbutan-2-yl)acetamide

C16H21N3O2 — CID 61489515

IUPAC2-(5-aminoquinolin-8-yl)oxy-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)COc1ccc(N)c2cccnc12
InChIInChI=1S/C16H21N3O2/c1-10(2)11(3)19-15(20)9-21-14-7-6-13(17)12-5-4-8-18-16(12)14/h4-8,10-11H,9,17H2,1-3H3,(H,19,20)
InChIKeyKHIXNROTLKYUMS-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.36
Rot. Bonds5

About 2-(5-aminoquinolin-8-yl)oxy-N-(3-methylbutan-2-yl)acetamide

2-(5-aminoquinolin-8-yl)oxy-N-(3-methylbutan-2-yl)acetamide (PubChem CID 61489515) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(5-aminoquinolin-8-yl)oxy-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-aminoquinolin-8-yl)oxy-N-(3-methylbutan-2-yl)acetamide
PubChem CID61489515
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(5-aminoquinolin-8-yl)oxy-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)COc1ccc(N)c2cccnc12
InChIInChI=1S/C16H21N3O2/c1-10(2)11(3)19-15(20)9-21-14-7-6-13(17)12-5-4-8-18-16(12)14/h4-8,10-11H,9,17H2,1-3H3,(H,19,20)
InChIKeyKHIXNROTLKYUMS-UHFFFAOYSA-N
XLogP2.36
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(8-aminoquinolin-5-yl)oxy-N-butan-2-ylacetamide
CID 116524797
3-(5-aminoquinolin-8-yl)oxy-2-methylpropanamide
CID 60863326
N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 47104754
2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide
CID 3865457
2-[2-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 60773074
2-(5-chloroquinolin-8-yl)oxy-N-(1-methoxypropan-2-yl)acetamide
CID 51172403
4-amino-3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 61489341
2-(5-aminoquinolin-8-yl)oxy-N-cyclopropyl-N-methylacetamide
CID 61488649
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716466
8-(2-methoxypropoxy)quinolin-5-amine
CID 113382666
2-(8-aminoquinolin-5-yl)oxyacetamide
CID 116524742
(2R)-2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-4-methylpentanoic acid
CID 119363599

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminoquinolin-8-yl)oxy-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(5-aminoquinolin-8-yl)oxy-N-(3-methylbutan-2-yl)acetamide (CID 61489515) is 2-(5-aminoquinolin-8-yl)oxy-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(5-aminoquinolin-8-yl)oxy-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(5-aminoquinolin-8-yl)oxy-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)COc1ccc(N)c2cccnc12.
What is the InChIKey of 2-(5-aminoquinolin-8-yl)oxy-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is KHIXNROTLKYUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(2)11(3)19-15(20)9-21-14-7-6-13(17)12-5-4-8-18-16(12)14/h4-8,10-11H,9,17H2,1-3H3,(H,19,20).
What are the key properties of 2-(5-aminoquinolin-8-yl)oxy-N-(3-methylbutan-2-yl)acetamide?
2-(5-aminoquinolin-8-yl)oxy-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminoquinolin-8-yl)oxy-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 61489515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).