5-amino-1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one

C13H14N2O3 — CID 143375951

IUPAC5-amino-1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one
SMILESNc1cccc2c1ccc(=O)n2CC1OCCO1
InChIInChI=1S/C13H14N2O3/c14-10-2-1-3-11-9(10)4-5-12(16)15(11)8-13-17-6-7-18-13/h1-5,13H,6-8,14H2
InChIKeyONWLHOJASXKGED-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.96
Rot. Bonds2

About 5-amino-1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one

5-amino-1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one (PubChem CID 143375951) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-amino-1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one.

Molecular Properties

Compound Name5-amino-1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one
PubChem CID143375951
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name5-amino-1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one
SMILESNc1cccc2c1ccc(=O)n2CC1OCCO1
InChIInChI=1S/C13H14N2O3/c14-10-2-1-3-11-9(10)4-5-12(16)15(11)8-13-17-6-7-18-13/h1-5,13H,6-8,14H2
InChIKeyONWLHOJASXKGED-UHFFFAOYSA-N
XLogP0.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one?
The IUPAC name of 5-amino-1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one (CID 143375951) is 5-amino-1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one.
What is the SMILES notation for 5-amino-1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one?
The canonical SMILES for 5-amino-1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one is Nc1cccc2c1ccc(=O)n2CC1OCCO1.
What is the InChIKey of 5-amino-1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one?
The InChIKey is ONWLHOJASXKGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c14-10-2-1-3-11-9(10)4-5-12(16)15(11)8-13-17-6-7-18-13/h1-5,13H,6-8,14H2.
What are the key properties of 5-amino-1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one?
5-amino-1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one has a molecular weight of 246.27 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one is sourced from PubChem (CID 143375951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).