7-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

C20H19N3O3 — CID 56708605

IUPAC7-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESO=c1[nH]c2cc3c(cc2cc1CN1CCCC1c1ccccn1)OCO3
InChIInChI=1S/C20H19N3O3/c24-20-14(8-13-9-18-19(26-12-25-18)10-16(13)22-20)11-23-7-3-5-17(23)15-4-1-2-6-21-15/h1-2,4,6,8-10,17H,3,5,7,11-12H2,(H,22,24)
InChIKeyIGVBBKGTVKHIEN-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.99
Rot. Bonds3

About 7-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

7-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 56708605) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 7-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name7-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID56708605
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name7-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESO=c1[nH]c2cc3c(cc2cc1CN1CCCC1c1ccccn1)OCO3
InChIInChI=1S/C20H19N3O3/c24-20-14(8-13-9-18-19(26-12-25-18)10-16(13)22-20)11-23-7-3-5-17(23)15-4-1-2-6-21-15/h1-2,4,6,8-10,17H,3,5,7,11-12H2,(H,22,24)
InChIKeyIGVBBKGTVKHIEN-UHFFFAOYSA-N
XLogP2.99
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 7-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 56708605) is 7-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 7-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 7-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is O=c1[nH]c2cc3c(cc2cc1CN1CCCC1c1ccccn1)OCO3.
What is the InChIKey of 7-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is IGVBBKGTVKHIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-20-14(8-13-9-18-19(26-12-25-18)10-16(13)22-20)11-23-7-3-5-17(23)15-4-1-2-6-21-15/h1-2,4,6,8-10,17H,3,5,7,11-12H2,(H,22,24).
What are the key properties of 7-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
7-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 349.39 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 56708605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).