6-(1,3-benzoxazol-2-yloxy)-3,4-dihydro-1H-quinolin-2-one

C16H12N2O3 — CID 75526069

IUPAC6-(1,3-benzoxazol-2-yloxy)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Oc3nc4ccccc4o3)ccc2N1
InChIInChI=1S/C16H12N2O3/c19-15-8-5-10-9-11(6-7-12(10)17-15)20-16-18-13-3-1-2-4-14(13)21-16/h1-4,6-7,9H,5,8H2,(H,17,19)
InChIKeyQCMCWEFXJSJLKB-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.50
Rot. Bonds2

About 6-(1,3-benzoxazol-2-yloxy)-3,4-dihydro-1H-quinolin-2-one

6-(1,3-benzoxazol-2-yloxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 75526069) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 6-(1,3-benzoxazol-2-yloxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(1,3-benzoxazol-2-yloxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID75526069
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name6-(1,3-benzoxazol-2-yloxy)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Oc3nc4ccccc4o3)ccc2N1
InChIInChI=1S/C16H12N2O3/c19-15-8-5-10-9-11(6-7-12(10)17-15)20-16-18-13-3-1-2-4-14(13)21-16/h1-4,6-7,9H,5,8H2,(H,17,19)
InChIKeyQCMCWEFXJSJLKB-UHFFFAOYSA-N
XLogP3.50
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(1,3-benzoxazol-2-yloxy)-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 68591635
6-(5-bromopyrimidin-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 63867081
6-(2-amino-6-chloropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 112725503
6-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 80865473
2-(7-iodonaphthalen-2-yl)oxy-1,3-benzoxazole
CID 145224896
6-[[6-(ethylamino)-2-pyridinyl]oxy]-3,4-dihydro-1H-quinolin-2-one
CID 80865656
6-(1-methylindazol-5-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 166453232
6-[[6-(aminomethyl)-3-pyridinyl]oxy]-3,4-dihydro-1H-quinolin-2-one
CID 115487140
6-[(6-methoxy-3-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one
CID 166453240
6-(4-amino-2-fluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 28972700
6-[4-(aminomethyl)-3-bromophenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 107275127
6-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]-3,4-dihydro-1H-quinolin-2-one
CID 137272683

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzoxazol-2-yloxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(1,3-benzoxazol-2-yloxy)-3,4-dihydro-1H-quinolin-2-one (CID 75526069) is 6-(1,3-benzoxazol-2-yloxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(1,3-benzoxazol-2-yloxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(1,3-benzoxazol-2-yloxy)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(Oc3nc4ccccc4o3)ccc2N1.
What is the InChIKey of 6-(1,3-benzoxazol-2-yloxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QCMCWEFXJSJLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-15-8-5-10-9-11(6-7-12(10)17-15)20-16-18-13-3-1-2-4-14(13)21-16/h1-4,6-7,9H,5,8H2,(H,17,19).
What are the key properties of 6-(1,3-benzoxazol-2-yloxy)-3,4-dihydro-1H-quinolin-2-one?
6-(1,3-benzoxazol-2-yloxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 280.28 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzoxazol-2-yloxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 75526069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).