3-([1,3]dioxolo[4,5-g]isoquinolin-5-yloxy)cyclopentan-1-amine

C15H16N2O3 — CID 106542173

IUPAC3-([1,3]dioxolo[4,5-g]isoquinolin-5-yloxy)cyclopentan-1-amine
SMILESNC1CCC(Oc2nccc3cc4c(cc23)OCO4)C1
InChIInChI=1S/C15H16N2O3/c16-10-1-2-11(6-10)20-15-12-7-14-13(18-8-19-14)5-9(12)3-4-17-15/h3-5,7,10-11H,1-2,6,8,16H2
InChIKeyVQHDAZAKQLZWCA-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.22
Rot. Bonds2

About 3-([1,3]dioxolo[4,5-g]isoquinolin-5-yloxy)cyclopentan-1-amine

3-([1,3]dioxolo[4,5-g]isoquinolin-5-yloxy)cyclopentan-1-amine (PubChem CID 106542173) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-([1,3]dioxolo[4,5-g]isoquinolin-5-yloxy)cyclopentan-1-amine.

Molecular Properties

Compound Name3-([1,3]dioxolo[4,5-g]isoquinolin-5-yloxy)cyclopentan-1-amine
PubChem CID106542173
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-([1,3]dioxolo[4,5-g]isoquinolin-5-yloxy)cyclopentan-1-amine
SMILESNC1CCC(Oc2nccc3cc4c(cc23)OCO4)C1
InChIInChI=1S/C15H16N2O3/c16-10-1-2-11(6-10)20-15-12-7-14-13(18-8-19-14)5-9(12)3-4-17-15/h3-5,7,10-11H,1-2,6,8,16H2
InChIKeyVQHDAZAKQLZWCA-UHFFFAOYSA-N
XLogP2.22
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3S)-piperidin-3-yl]oxy-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
CID 106542165
5-(pyrrolidin-3-ylmethoxy)-[1,3]dioxolo[4,5-g]isoquinoline
CID 106542072
1-N-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)cyclobutane-1,3-diamine
CID 106540364
5-chloro-[1,3]dioxolo[4,5-g]isoquinoline
CID 21192459
3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]cyclopentan-1-amine
CID 79734556
N-[(2-aminocyclopentyl)methyl]-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106543389
N'-cyclopropyl-N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethane-1,2-diamine
CID 106543337
3-(5-bromopyrimidin-4-yl)oxycyclopentan-1-amine
CID 79465626
5-propyl-[1,3]dioxolo[4,5-g]isoquinoline
CID 16638151
[1,3]dioxolo[4,5-g]isochromen-5-one
CID 15120993
N-(1-cyclopropylethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106537549
[1,3]dioxolo[4,5-g]isoquinolin-5-yl(pyridin-4-yl)methanone
CID 91665278

Frequently Asked Questions

What is the IUPAC name of 3-([1,3]dioxolo[4,5-g]isoquinolin-5-yloxy)cyclopentan-1-amine?
The IUPAC name of 3-([1,3]dioxolo[4,5-g]isoquinolin-5-yloxy)cyclopentan-1-amine (CID 106542173) is 3-([1,3]dioxolo[4,5-g]isoquinolin-5-yloxy)cyclopentan-1-amine.
What is the SMILES notation for 3-([1,3]dioxolo[4,5-g]isoquinolin-5-yloxy)cyclopentan-1-amine?
The canonical SMILES for 3-([1,3]dioxolo[4,5-g]isoquinolin-5-yloxy)cyclopentan-1-amine is NC1CCC(Oc2nccc3cc4c(cc23)OCO4)C1.
What is the InChIKey of 3-([1,3]dioxolo[4,5-g]isoquinolin-5-yloxy)cyclopentan-1-amine?
The InChIKey is VQHDAZAKQLZWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c16-10-1-2-11(6-10)20-15-12-7-14-13(18-8-19-14)5-9(12)3-4-17-15/h3-5,7,10-11H,1-2,6,8,16H2.
What are the key properties of 3-([1,3]dioxolo[4,5-g]isoquinolin-5-yloxy)cyclopentan-1-amine?
3-([1,3]dioxolo[4,5-g]isoquinolin-5-yloxy)cyclopentan-1-amine has a molecular weight of 272.30 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1,3]dioxolo[4,5-g]isoquinolin-5-yloxy)cyclopentan-1-amine is sourced from PubChem (CID 106542173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).