[1,3]dioxolo[4,5-g]isoquinolin-5-yl(pyridin-4-yl)methanone

C16H10N2O3 — CID 91665278

IUPAC[1,3]dioxolo[4,5-g]isoquinolin-5-yl(pyridin-4-yl)methanone
SMILESO=C(c1ccncc1)c1nccc2cc3c(cc12)OCO3
InChIInChI=1S/C16H10N2O3/c19-16(10-1-4-17-5-2-10)15-12-8-14-13(20-9-21-14)7-11(12)3-6-18-15/h1-8H,9H2
InChIKeyCUJUPLJAHNSWJT-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.59
Rot. Bonds2

About [1,3]dioxolo[4,5-g]isoquinolin-5-yl(pyridin-4-yl)methanone

[1,3]dioxolo[4,5-g]isoquinolin-5-yl(pyridin-4-yl)methanone (PubChem CID 91665278) has the molecular formula C16H10N2O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is [1,3]dioxolo[4,5-g]isoquinolin-5-yl(pyridin-4-yl)methanone.

Molecular Properties

Compound Name[1,3]dioxolo[4,5-g]isoquinolin-5-yl(pyridin-4-yl)methanone
PubChem CID91665278
Molecular FormulaC16H10N2O3
Molecular Weight278.27 g/mol
Exact Mass278.07
IUPAC Name[1,3]dioxolo[4,5-g]isoquinolin-5-yl(pyridin-4-yl)methanone
SMILESO=C(c1ccncc1)c1nccc2cc3c(cc12)OCO3
InChIInChI=1S/C16H10N2O3/c19-16(10-1-4-17-5-2-10)15-12-8-14-13(20-9-21-14)7-11(12)3-6-18-15/h1-8H,9H2
InChIKeyCUJUPLJAHNSWJT-UHFFFAOYSA-N
XLogP2.59
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1,3]dioxolo[4,5-g]isoquinolin-5-yl(pyridin-3-yl)methanone
CID 91664934
2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline-6-carboxylic acid
CID 82572007
5-chloro-[1,3]dioxolo[4,5-g]isoquinoline
CID 21192459
3-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)propanamide
CID 82578337
2-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)acetic acid
CID 82571312
5-propyl-[1,3]dioxolo[4,5-g]isoquinoline
CID 16638151
2-[cyclopropyl([1,3]dioxolo[4,5-g]isoquinolin-5-yl)amino]acetic acid
CID 106536005
2-([1,3]dioxolo[4,5-g]isoquinolin-5-ylsulfanyl)butanoic acid
CID 106536865
5-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)pentanamide
CID 106238731
N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
CID 2089022
1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pyrazol-3-amine
CID 106541712
N'-[3-(1,3-benzodioxol-5-yl)propanoyl]pyridine-4-carbohydrazide
CID 25295416

Frequently Asked Questions

What is the IUPAC name of [1,3]dioxolo[4,5-g]isoquinolin-5-yl(pyridin-4-yl)methanone?
The IUPAC name of [1,3]dioxolo[4,5-g]isoquinolin-5-yl(pyridin-4-yl)methanone (CID 91665278) is [1,3]dioxolo[4,5-g]isoquinolin-5-yl(pyridin-4-yl)methanone.
What is the SMILES notation for [1,3]dioxolo[4,5-g]isoquinolin-5-yl(pyridin-4-yl)methanone?
The canonical SMILES for [1,3]dioxolo[4,5-g]isoquinolin-5-yl(pyridin-4-yl)methanone is O=C(c1ccncc1)c1nccc2cc3c(cc12)OCO3.
What is the InChIKey of [1,3]dioxolo[4,5-g]isoquinolin-5-yl(pyridin-4-yl)methanone?
The InChIKey is CUJUPLJAHNSWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O3/c19-16(10-1-4-17-5-2-10)15-12-8-14-13(20-9-21-14)7-11(12)3-6-18-15/h1-8H,9H2.
What are the key properties of [1,3]dioxolo[4,5-g]isoquinolin-5-yl(pyridin-4-yl)methanone?
[1,3]dioxolo[4,5-g]isoquinolin-5-yl(pyridin-4-yl)methanone has a molecular weight of 278.27 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]dioxolo[4,5-g]isoquinolin-5-yl(pyridin-4-yl)methanone is sourced from PubChem (CID 91665278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).