2-(7-aminoquinolin-3-yl)oxypropanamide

C12H13N3O2 — CID 142157932

IUPAC2-(7-aminoquinolin-3-yl)oxypropanamide
SMILESCC(Oc1cnc2cc(N)ccc2c1)C(N)=O
InChIInChI=1S/C12H13N3O2/c1-7(12(14)16)17-10-4-8-2-3-9(13)5-11(8)15-6-10/h2-7H,13H2,1H3,(H2,14,16)
InChIKeyBZTNALRMWZLJHW-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.07
Rot. Bonds3

About 2-(7-aminoquinolin-3-yl)oxypropanamide

2-(7-aminoquinolin-3-yl)oxypropanamide (PubChem CID 142157932) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(7-aminoquinolin-3-yl)oxypropanamide.

Molecular Properties

Compound Name2-(7-aminoquinolin-3-yl)oxypropanamide
PubChem CID142157932
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-(7-aminoquinolin-3-yl)oxypropanamide
SMILESCC(Oc1cnc2cc(N)ccc2c1)C(N)=O
InChIInChI=1S/C12H13N3O2/c1-7(12(14)16)17-10-4-8-2-3-9(13)5-11(8)15-6-10/h2-7H,13H2,1H3,(H2,14,16)
InChIKeyBZTNALRMWZLJHW-UHFFFAOYSA-N
XLogP1.07
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.07
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-(7-methylquinolin-3-yl)oxypropanamide
CID 58806284
2-(3-aminophenoxy)propanamide
CID 43115971
2-[4-[(7-chloroquinolin-3-yl)-methylamino]phenoxy]propanamide
CID 57126589
methyl 2-[4-(7-aminoquinoxalin-2-yl)oxyphenoxy]propanoate
CID 10830920
2-(4-amino-2-fluorophenoxy)propanamide
CID 43259260
(2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one
CID 166219750
2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]propanamide
CID 79796082
(2R)-2-(4-hydroxyphenoxy)propanamide
CID 67641252
(3R)-3-quinolin-3-yloxybutanoic acid
CID 107386787
(2R)-2-(4-bromophenoxy)propanamide
CID 974910
2-phenyl-2-quinolin-3-yloxyacetic acid
CID 107386759
2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47095242

Frequently Asked Questions

What is the IUPAC name of 2-(7-aminoquinolin-3-yl)oxypropanamide?
The IUPAC name of 2-(7-aminoquinolin-3-yl)oxypropanamide (CID 142157932) is 2-(7-aminoquinolin-3-yl)oxypropanamide.
What is the SMILES notation for 2-(7-aminoquinolin-3-yl)oxypropanamide?
The canonical SMILES for 2-(7-aminoquinolin-3-yl)oxypropanamide is CC(Oc1cnc2cc(N)ccc2c1)C(N)=O.
What is the InChIKey of 2-(7-aminoquinolin-3-yl)oxypropanamide?
The InChIKey is BZTNALRMWZLJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-7(12(14)16)17-10-4-8-2-3-9(13)5-11(8)15-6-10/h2-7H,13H2,1H3,(H2,14,16).
What are the key properties of 2-(7-aminoquinolin-3-yl)oxypropanamide?
2-(7-aminoquinolin-3-yl)oxypropanamide has a molecular weight of 231.25 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-aminoquinolin-3-yl)oxypropanamide is sourced from PubChem (CID 142157932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).