5-propyl-[1,3]dioxolo[4,5-g]isoquinoline

C13H13NO2 — CID 16638151

IUPAC5-propyl-[1,3]dioxolo[4,5-g]isoquinoline
SMILESCCCc1nccc2cc3c(cc12)OCO3
InChIInChI=1S/C13H13NO2/c1-2-3-11-10-7-13-12(15-8-16-13)6-9(10)4-5-14-11/h4-7H,2-3,8H2,1H3
InChIKeyHBZWIFDSECLXEV-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.92
Rot. Bonds2

About 5-propyl-[1,3]dioxolo[4,5-g]isoquinoline

5-propyl-[1,3]dioxolo[4,5-g]isoquinoline (PubChem CID 16638151) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 5-propyl-[1,3]dioxolo[4,5-g]isoquinoline.

Molecular Properties

Compound Name5-propyl-[1,3]dioxolo[4,5-g]isoquinoline
PubChem CID16638151
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name5-propyl-[1,3]dioxolo[4,5-g]isoquinoline
SMILESCCCc1nccc2cc3c(cc12)OCO3
InChIInChI=1S/C13H13NO2/c1-2-3-11-10-7-13-12(15-8-16-13)6-9(10)4-5-14-11/h4-7H,2-3,8H2,1H3
InChIKeyHBZWIFDSECLXEV-UHFFFAOYSA-N
XLogP2.92
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)propanamide
CID 82578337
2-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)ethanethiol
CID 116995484
4-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)butan-2-one
CID 116995488
2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-ylmethanethiol
CID 116995483
5-chloro-[1,3]dioxolo[4,5-g]isoquinoline
CID 21192459
2-[butyl([1,3]dioxolo[4,5-g]isoquinolin-5-yl)amino]ethanol
CID 106541427
N-(4-methylhexan-2-yl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106538917
2-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(ethyl)amino]ethanol
CID 106541393
5-[(3-methoxy-4-propoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]isoquinoline;phosphoric acid
CID 24837672
N-pent-1-yn-3-yl-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106231129
N-but-2-ynyl-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106539479
3-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)-3-methylpentan-1-ol
CID 106171503

Frequently Asked Questions

What is the IUPAC name of 5-propyl-[1,3]dioxolo[4,5-g]isoquinoline?
The IUPAC name of 5-propyl-[1,3]dioxolo[4,5-g]isoquinoline (CID 16638151) is 5-propyl-[1,3]dioxolo[4,5-g]isoquinoline.
What is the SMILES notation for 5-propyl-[1,3]dioxolo[4,5-g]isoquinoline?
The canonical SMILES for 5-propyl-[1,3]dioxolo[4,5-g]isoquinoline is CCCc1nccc2cc3c(cc12)OCO3.
What is the InChIKey of 5-propyl-[1,3]dioxolo[4,5-g]isoquinoline?
The InChIKey is HBZWIFDSECLXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-3-11-10-7-13-12(15-8-16-13)6-9(10)4-5-14-11/h4-7H,2-3,8H2,1H3.
What are the key properties of 5-propyl-[1,3]dioxolo[4,5-g]isoquinoline?
5-propyl-[1,3]dioxolo[4,5-g]isoquinoline has a molecular weight of 215.25 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-[1,3]dioxolo[4,5-g]isoquinoline is sourced from PubChem (CID 16638151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).