6-(1,3-dioxolan-2-yl)quinolin-2-amine

C12H12N2O2 — CID 11287377

IUPAC6-(1,3-dioxolan-2-yl)quinolin-2-amine
SMILESNc1ccc2cc(C3OCCO3)ccc2n1
InChIInChI=1S/C12H12N2O2/c13-11-4-2-8-7-9(1-3-10(8)14-11)12-15-5-6-16-12/h1-4,7,12H,5-6H2,(H2,13,14)
InChIKeySDBWCDHRWIANND-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.86
Rot. Bonds1

About 6-(1,3-dioxolan-2-yl)quinolin-2-amine

6-(1,3-dioxolan-2-yl)quinolin-2-amine (PubChem CID 11287377) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 6-(1,3-dioxolan-2-yl)quinolin-2-amine.

Molecular Properties

Compound Name6-(1,3-dioxolan-2-yl)quinolin-2-amine
PubChem CID11287377
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name6-(1,3-dioxolan-2-yl)quinolin-2-amine
SMILESNc1ccc2cc(C3OCCO3)ccc2n1
InChIInChI=1S/C12H12N2O2/c13-11-4-2-8-7-9(1-3-10(8)14-11)12-15-5-6-16-12/h1-4,7,12H,5-6H2,(H2,13,14)
InChIKeySDBWCDHRWIANND-UHFFFAOYSA-N
XLogP1.86
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxolan-2-yl)quinolin-2-amine?
The IUPAC name of 6-(1,3-dioxolan-2-yl)quinolin-2-amine (CID 11287377) is 6-(1,3-dioxolan-2-yl)quinolin-2-amine.
What is the SMILES notation for 6-(1,3-dioxolan-2-yl)quinolin-2-amine?
The canonical SMILES for 6-(1,3-dioxolan-2-yl)quinolin-2-amine is Nc1ccc2cc(C3OCCO3)ccc2n1.
What is the InChIKey of 6-(1,3-dioxolan-2-yl)quinolin-2-amine?
The InChIKey is SDBWCDHRWIANND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-11-4-2-8-7-9(1-3-10(8)14-11)12-15-5-6-16-12/h1-4,7,12H,5-6H2,(H2,13,14).
What are the key properties of 6-(1,3-dioxolan-2-yl)quinolin-2-amine?
6-(1,3-dioxolan-2-yl)quinolin-2-amine has a molecular weight of 216.24 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxolan-2-yl)quinolin-2-amine is sourced from PubChem (CID 11287377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).