N-(1H-imidazol-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine

C15H14N4O2 — CID 106538781

IUPACN-(1H-imidazol-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine
SMILESc1c[nH]c(CNc2nccc3cc4c(cc23)OCCO4)n1
InChIInChI=1S/C15H14N4O2/c1-2-18-15(19-9-14-16-3-4-17-14)11-8-13-12(7-10(1)11)20-5-6-21-13/h1-4,7-8H,5-6,9H2,(H,16,17)(H,18,19)
InChIKeySUBSPOIHKSAHEF-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.34
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine

N-(1H-imidazol-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine (PubChem CID 106538781) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine
PubChem CID106538781
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine
SMILESc1c[nH]c(CNc2nccc3cc4c(cc23)OCCO4)n1
InChIInChI=1S/C15H14N4O2/c1-2-18-15(19-9-14-16-3-4-17-14)11-8-13-12(7-10(1)11)20-5-6-21-13/h1-4,7-8H,5-6,9H2,(H,16,17)(H,18,19)
InChIKeySUBSPOIHKSAHEF-UHFFFAOYSA-N
XLogP2.34
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1H-imidazol-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-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-(1H-imidazol-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine (CID 106538781) is N-(1H-imidazol-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine is c1c[nH]c(CNc2nccc3cc4c(cc23)OCCO4)n1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine?
The InChIKey is SUBSPOIHKSAHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-2-18-15(19-9-14-16-3-4-17-14)11-8-13-12(7-10(1)11)20-5-6-21-13/h1-4,7-8H,5-6,9H2,(H,16,17)(H,18,19).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine?
N-(1H-imidazol-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine has a molecular weight of 282.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine is sourced from PubChem (CID 106538781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).