1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one;1H-quinolin-2-one

C22H20N2O4 — CID 158843653

IUPAC1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one;1H-quinolin-2-one
SMILESO=c1ccc2ccccc2[nH]1.O=c1ccc2ccccc2n1CC1OCCO1
InChIInChI=1S/C13H13NO3.C9H7NO/c15-12-6-5-10-3-1-2-4-11(10)14(12)9-13-16-7-8-17-13;11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6,13H,7-9H2;1-6H,(H,10,11)
InChIKeyIYODVWKNQAERCH-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.90
Rot. Bonds2

About 1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one;1H-quinolin-2-one

1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one;1H-quinolin-2-one (PubChem CID 158843653) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one;1H-quinolin-2-one.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one;1H-quinolin-2-one
PubChem CID158843653
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one;1H-quinolin-2-one
SMILESO=c1ccc2ccccc2[nH]1.O=c1ccc2ccccc2n1CC1OCCO1
InChIInChI=1S/C13H13NO3.C9H7NO/c15-12-6-5-10-3-1-2-4-11(10)14(12)9-13-16-7-8-17-13;11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6,13H,7-9H2;1-6H,(H,10,11)
InChIKeyIYODVWKNQAERCH-UHFFFAOYSA-N
XLogP2.90
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one;1H-quinolin-2-one?
The IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one;1H-quinolin-2-one (CID 158843653) is 1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one;1H-quinolin-2-one.
What is the SMILES notation for 1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one;1H-quinolin-2-one?
The canonical SMILES for 1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one;1H-quinolin-2-one is O=c1ccc2ccccc2[nH]1.O=c1ccc2ccccc2n1CC1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one;1H-quinolin-2-one?
The InChIKey is IYODVWKNQAERCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3.C9H7NO/c15-12-6-5-10-3-1-2-4-11(10)14(12)9-13-16-7-8-17-13;11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6,13H,7-9H2;1-6H,(H,10,11).
What are the key properties of 1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one;1H-quinolin-2-one?
1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one;1H-quinolin-2-one has a molecular weight of 376.41 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one;1H-quinolin-2-one is sourced from PubChem (CID 158843653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).