7-amino-4-hydroxy-3-prop-2-enoxy-1H-quinolin-2-one

C12H12N2O3 — CID 54713989

IUPAC7-amino-4-hydroxy-3-prop-2-enoxy-1H-quinolin-2-one
SMILESC=CCOc1c(O)c2ccc(N)cc2[nH]c1=O
InChIInChI=1S/C12H12N2O3/c1-2-5-17-11-10(15)8-4-3-7(13)6-9(8)14-12(11)16/h2-4,6H,1,5,13H2,(H2,14,15,16)
InChIKeySVVZOOJUGHRHQB-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.38
Rot. Bonds3

About 7-amino-4-hydroxy-3-prop-2-enoxy-1H-quinolin-2-one

7-amino-4-hydroxy-3-prop-2-enoxy-1H-quinolin-2-one (PubChem CID 54713989) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 7-amino-4-hydroxy-3-prop-2-enoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-4-hydroxy-3-prop-2-enoxy-1H-quinolin-2-one
PubChem CID54713989
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name7-amino-4-hydroxy-3-prop-2-enoxy-1H-quinolin-2-one
SMILESC=CCOc1c(O)c2ccc(N)cc2[nH]c1=O
InChIInChI=1S/C12H12N2O3/c1-2-5-17-11-10(15)8-4-3-7(13)6-9(8)14-12(11)16/h2-4,6H,1,5,13H2,(H2,14,15,16)
InChIKeySVVZOOJUGHRHQB-UHFFFAOYSA-N
XLogP1.38
TPSA88.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-4-hydroxy-3-prop-2-enoxy-1H-quinolin-2-one?
The IUPAC name of 7-amino-4-hydroxy-3-prop-2-enoxy-1H-quinolin-2-one (CID 54713989) is 7-amino-4-hydroxy-3-prop-2-enoxy-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-4-hydroxy-3-prop-2-enoxy-1H-quinolin-2-one?
The canonical SMILES for 7-amino-4-hydroxy-3-prop-2-enoxy-1H-quinolin-2-one is C=CCOc1c(O)c2ccc(N)cc2[nH]c1=O.
What is the InChIKey of 7-amino-4-hydroxy-3-prop-2-enoxy-1H-quinolin-2-one?
The InChIKey is SVVZOOJUGHRHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-5-17-11-10(15)8-4-3-7(13)6-9(8)14-12(11)16/h2-4,6H,1,5,13H2,(H2,14,15,16).
What are the key properties of 7-amino-4-hydroxy-3-prop-2-enoxy-1H-quinolin-2-one?
7-amino-4-hydroxy-3-prop-2-enoxy-1H-quinolin-2-one has a molecular weight of 232.24 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-hydroxy-3-prop-2-enoxy-1H-quinolin-2-one is sourced from PubChem (CID 54713989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).