2-(1,3-benzodioxol-5-yl)-1H-quinolin-4-one

C16H11NO3 — CID 10901503

IUPAC2-(1,3-benzodioxol-5-yl)-1H-quinolin-4-one
SMILESO=c1cc(-c2ccc3c(c2)OCO3)[nH]c2ccccc12
InChIInChI=1S/C16H11NO3/c18-14-8-13(17-12-4-2-1-3-11(12)14)10-5-6-15-16(7-10)20-9-19-15/h1-8H,9H2,(H,17,18)
InChIKeyXZLHQSQFBBOXIY-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.92
Rot. Bonds1

About 2-(1,3-benzodioxol-5-yl)-1H-quinolin-4-one

2-(1,3-benzodioxol-5-yl)-1H-quinolin-4-one (PubChem CID 10901503) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-1H-quinolin-4-one
PubChem CID10901503
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name2-(1,3-benzodioxol-5-yl)-1H-quinolin-4-one
SMILESO=c1cc(-c2ccc3c(c2)OCO3)[nH]c2ccccc12
InChIInChI=1S/C16H11NO3/c18-14-8-13(17-12-4-2-1-3-11(12)14)10-5-6-15-16(7-10)20-9-19-15/h1-8H,9H2,(H,17,18)
InChIKeyXZLHQSQFBBOXIY-UHFFFAOYSA-N
XLogP2.92
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(1,3-benzodioxol-5-yl)hexyl]-1H-quinolin-4-one
CID 10450485
6-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 801338
4-[2-(1,3-benzodioxol-5-yl)-1H-indol-3-yl]butan-1-amine
CID 5008569
2-(2-chloro-4-pyridinyl)-1H-quinolin-4-one
CID 77230218
3-amino-2-(1,3-benzodioxol-5-yl)chromen-4-one
CID 86100284
6-phenyl-5H-[1,3]dioxolo[4,5-f]indole
CID 4067102
2,3-bis(1,3-benzodioxol-5-yl)phenanthro[9,10-b]pyrazine
CID 59695647
4-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)-1H-pyridin-2-one
CID 44545014
3-(1,3-benzodioxol-5-yl)-10-methylacridin-9-one
CID 24818813
N-[(2-methyl-1H-indol-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110782363
1,3-benzodioxole;1,3-dihydrobenzimidazol-2-one;ethene
CID 160531673
2-[2-(1,3-benzodioxol-5-yl)-5-bromo-1H-indol-3-yl]acetic acid
CID 5126249

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-1H-quinolin-4-one?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-1H-quinolin-4-one (CID 10901503) is 2-(1,3-benzodioxol-5-yl)-1H-quinolin-4-one.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-1H-quinolin-4-one?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-1H-quinolin-4-one is O=c1cc(-c2ccc3c(c2)OCO3)[nH]c2ccccc12.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-1H-quinolin-4-one?
The InChIKey is XZLHQSQFBBOXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c18-14-8-13(17-12-4-2-1-3-11(12)14)10-5-6-15-16(7-10)20-9-19-15/h1-8H,9H2,(H,17,18).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-1H-quinolin-4-one?
2-(1,3-benzodioxol-5-yl)-1H-quinolin-4-one has a molecular weight of 265.27 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-1H-quinolin-4-one is sourced from PubChem (CID 10901503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).