7-(1,3-dioxan-2-yl)quinolin-2-amine

C13H14N2O2 — CID 11195581

IUPAC7-(1,3-dioxan-2-yl)quinolin-2-amine
SMILESNc1ccc2ccc(C3OCCCO3)cc2n1
InChIInChI=1S/C13H14N2O2/c14-12-5-4-9-2-3-10(8-11(9)15-12)13-16-6-1-7-17-13/h2-5,8,13H,1,6-7H2,(H2,14,15)
InChIKeyCCNBGLJJVSZMHZ-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.25
Rot. Bonds1

About 7-(1,3-dioxan-2-yl)quinolin-2-amine

7-(1,3-dioxan-2-yl)quinolin-2-amine (PubChem CID 11195581) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 7-(1,3-dioxan-2-yl)quinolin-2-amine.

Molecular Properties

Compound Name7-(1,3-dioxan-2-yl)quinolin-2-amine
PubChem CID11195581
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name7-(1,3-dioxan-2-yl)quinolin-2-amine
SMILESNc1ccc2ccc(C3OCCCO3)cc2n1
InChIInChI=1S/C13H14N2O2/c14-12-5-4-9-2-3-10(8-11(9)15-12)13-16-6-1-7-17-13/h2-5,8,13H,1,6-7H2,(H2,14,15)
InChIKeyCCNBGLJJVSZMHZ-UHFFFAOYSA-N
XLogP2.25
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(1,3-dioxan-2-yl)quinolin-2-amine?
The IUPAC name of 7-(1,3-dioxan-2-yl)quinolin-2-amine (CID 11195581) is 7-(1,3-dioxan-2-yl)quinolin-2-amine.
What is the SMILES notation for 7-(1,3-dioxan-2-yl)quinolin-2-amine?
The canonical SMILES for 7-(1,3-dioxan-2-yl)quinolin-2-amine is Nc1ccc2ccc(C3OCCCO3)cc2n1.
What is the InChIKey of 7-(1,3-dioxan-2-yl)quinolin-2-amine?
The InChIKey is CCNBGLJJVSZMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-12-5-4-9-2-3-10(8-11(9)15-12)13-16-6-1-7-17-13/h2-5,8,13H,1,6-7H2,(H2,14,15).
What are the key properties of 7-(1,3-dioxan-2-yl)quinolin-2-amine?
7-(1,3-dioxan-2-yl)quinolin-2-amine has a molecular weight of 230.27 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-dioxan-2-yl)quinolin-2-amine is sourced from PubChem (CID 11195581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).