3-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)-3-methylpentan-1-ol

C16H20N2O3 — CID 106171503

IUPAC3-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1nccc2cc3c(cc12)OCO3
InChIInChI=1S/C16H20N2O3/c1-3-16(2,5-7-19)18-15-12-9-14-13(20-10-21-14)8-11(12)4-6-17-15/h4,6,8-9,19H,3,5,7,10H2,1-2H3,(H,17,18)
InChIKeyQVPAVKHCCAISGA-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.93
Rot. Bonds5

About 3-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)-3-methylpentan-1-ol

3-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)-3-methylpentan-1-ol (PubChem CID 106171503) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)-3-methylpentan-1-ol
PubChem CID106171503
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1nccc2cc3c(cc12)OCO3
InChIInChI=1S/C16H20N2O3/c1-3-16(2,5-7-19)18-15-12-9-14-13(20-10-21-14)8-11(12)4-6-17-15/h4,6,8-9,19H,3,5,7,10H2,1-2H3,(H,17,18)
InChIKeyQVPAVKHCCAISGA-UHFFFAOYSA-N
XLogP2.93
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)-3-methylpentan-1-ol with MolForge

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Related Compounds

N-(1-chloro-2-methylbutan-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine
CID 106542750
3-[(7-methoxyisoquinolin-1-yl)amino]-3-methylpentan-1-ol
CID 106171338
N-(2-methylbut-3-yn-2-yl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106538673
3-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-ylamino)-2,2-dimethylpropan-1-ol
CID 106539218
N-but-2-ynyl-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106539479
2-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)acetic acid
CID 82571312
2-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(ethyl)amino]ethanol
CID 106541393
3-methyl-3-(thieno[3,2-c]pyridin-4-ylamino)pentan-1-ol
CID 106171144
N-(2-chloroprop-2-enyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106539486
N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)propane-1,3-diamine
CID 82571318
N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-methylpropane-1,3-diamine
CID 106543385
N-pent-1-yn-3-yl-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106231129

Frequently Asked Questions

What is the IUPAC name of 3-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)-3-methylpentan-1-ol?
The IUPAC name of 3-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)-3-methylpentan-1-ol (CID 106171503) is 3-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)-3-methylpentan-1-ol.
What is the SMILES notation for 3-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)-3-methylpentan-1-ol?
The canonical SMILES for 3-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)-3-methylpentan-1-ol is CCC(C)(CCO)Nc1nccc2cc3c(cc12)OCO3.
What is the InChIKey of 3-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)-3-methylpentan-1-ol?
The InChIKey is QVPAVKHCCAISGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-16(2,5-7-19)18-15-12-9-14-13(20-10-21-14)8-11(12)4-6-17-15/h4,6,8-9,19H,3,5,7,10H2,1-2H3,(H,17,18).
What are the key properties of 3-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)-3-methylpentan-1-ol?
3-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)-3-methylpentan-1-ol has a molecular weight of 288.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 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-ylamino)-3-methylpentan-1-ol is sourced from PubChem (CID 106171503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).