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

C13H14N2O2 — CID 11195579

IUPAC6-(1,3-dioxan-2-yl)quinolin-2-amine
SMILESNc1ccc2cc(C3OCCCO3)ccc2n1
InChIInChI=1S/C13H14N2O2/c14-12-5-3-9-8-10(2-4-11(9)15-12)13-16-6-1-7-17-13/h2-5,8,13H,1,6-7H2,(H2,14,15)
InChIKeyQTYSUHTYOLPZNR-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.25
Rot. Bonds1

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

6-(1,3-dioxan-2-yl)quinolin-2-amine (PubChem CID 11195579) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-(1,3-dioxan-2-yl)quinolin-2-amine.

Molecular Properties

Compound Name6-(1,3-dioxan-2-yl)quinolin-2-amine
PubChem CID11195579
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name6-(1,3-dioxan-2-yl)quinolin-2-amine
SMILESNc1ccc2cc(C3OCCCO3)ccc2n1
InChIInChI=1S/C13H14N2O2/c14-12-5-3-9-8-10(2-4-11(9)15-12)13-16-6-1-7-17-13/h2-5,8,13H,1,6-7H2,(H2,14,15)
InChIKeyQTYSUHTYOLPZNR-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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Related Compounds

6-(5,5-Dimethyl-[1,3]dioxan-2-yl)-quinolin-2-ylamine
CID 10400290
6-[1,3]Dioxolan-2-yl-quinolin-2-ylamine
CID 11287377
3-(Diethoxymethyl)-2-fluoroquinoline-6-carbonitrile
CID 172338896
7-Fluoro-1,3-dihydrofuro[3,4-c]quinolin-4-amine
CID 175509211
3-(1,3-Dioxolan-2-yl)-2-hydrazino-7-methylquinoline
CID 90934271
[3-(1,3-Dioxolan-2-yl)-8-methylquinolin-2-yl]hydrazine
CID 139218746
3-(2,2,2-Trifluoroethoxymethyl)quinolin-2-amine
CID 62193317
3-[(2-Fluorophenyl)methoxymethyl]quinolin-2-amine
CID 63937172
3-(1,1,1-Trifluoropropan-2-yloxymethyl)quinolin-2-amine
CID 66277249
3-(2,2-Difluoroethoxymethyl)quinolin-2-amine
CID 82007215
3-(4,4,4-Trifluorobutoxymethyl)quinolin-2-amine
CID 82792969
3-(3,3,3-Trifluoropropoxymethyl)quinolin-2-amine
CID 82957817

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxan-2-yl)quinolin-2-amine?
The IUPAC name of 6-(1,3-dioxan-2-yl)quinolin-2-amine (CID 11195579) is 6-(1,3-dioxan-2-yl)quinolin-2-amine.
What is the SMILES notation for 6-(1,3-dioxan-2-yl)quinolin-2-amine?
The canonical SMILES for 6-(1,3-dioxan-2-yl)quinolin-2-amine is Nc1ccc2cc(C3OCCCO3)ccc2n1.
What is the InChIKey of 6-(1,3-dioxan-2-yl)quinolin-2-amine?
The InChIKey is QTYSUHTYOLPZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-12-5-3-9-8-10(2-4-11(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 6-(1,3-dioxan-2-yl)quinolin-2-amine?
6-(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 6-(1,3-dioxan-2-yl)quinolin-2-amine is sourced from PubChem (CID 11195579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).