N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-methylquinolin-8-amine

C16H20N2O2 — CID 106658761

IUPACN-(2,2-dimethyl-1,3-dioxan-5-yl)-2-methylquinolin-8-amine
SMILESCc1ccc2cccc(NC3COC(C)(C)OC3)c2n1
InChIInChI=1S/C16H20N2O2/c1-11-7-8-12-5-4-6-14(15(12)17-11)18-13-9-19-16(2,3)20-10-13/h4-8,13,18H,9-10H2,1-3H3
InChIKeyROSUOEWKKIGQPU-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.11
Rot. Bonds2

About N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-methylquinolin-8-amine

N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-methylquinolin-8-amine (PubChem CID 106658761) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-methylquinolin-8-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-1,3-dioxan-5-yl)-2-methylquinolin-8-amine
PubChem CID106658761
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(2,2-dimethyl-1,3-dioxan-5-yl)-2-methylquinolin-8-amine
SMILESCc1ccc2cccc(NC3COC(C)(C)OC3)c2n1
InChIInChI=1S/C16H20N2O2/c1-11-7-8-12-5-4-6-14(15(12)17-11)18-13-9-19-16(2,3)20-10-13/h4-8,13,18H,9-10H2,1-3H3
InChIKeyROSUOEWKKIGQPU-UHFFFAOYSA-N
XLogP3.11
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-methylquinolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-methylquinolin-8-amine?
The IUPAC name of N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-methylquinolin-8-amine (CID 106658761) is N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-methylquinolin-8-amine.
What is the SMILES notation for N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-methylquinolin-8-amine?
The canonical SMILES for N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-methylquinolin-8-amine is Cc1ccc2cccc(NC3COC(C)(C)OC3)c2n1.
What is the InChIKey of N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-methylquinolin-8-amine?
The InChIKey is ROSUOEWKKIGQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-7-8-12-5-4-6-14(15(12)17-11)18-13-9-19-16(2,3)20-10-13/h4-8,13,18H,9-10H2,1-3H3.
What are the key properties of N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-methylquinolin-8-amine?
N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-methylquinolin-8-amine has a molecular weight of 272.35 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-methylquinolin-8-amine is sourced from PubChem (CID 106658761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).