4-hydroxy-1-methyl-3-[5-(4-oxochromen-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]quinolin-2-one

C22H16N2O5 — CID 135788722

IUPAC4-hydroxy-1-methyl-3-[5-(4-oxochromen-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]quinolin-2-one
SMILESCn1c(=O)c(C2=NOC(c3coc4ccccc4c3=O)C2)c(O)c2ccccc21
InChIInChI=1S/C22H16N2O5/c1-24-16-8-4-2-6-12(16)21(26)19(22(24)27)15-10-18(29-23-15)14-11-28-17-9-5-3-7-13(17)20(14)25/h2-9,11,18,26H,10H2,1H3
InChIKeyYAVLUKBBVVGTGM-UHFFFAOYSA-N
MW388.38 g/mol
LogP3.22
Rot. Bonds2

About 4-hydroxy-1-methyl-3-[5-(4-oxochromen-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]quinolin-2-one

4-hydroxy-1-methyl-3-[5-(4-oxochromen-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]quinolin-2-one (PubChem CID 135788722) has the molecular formula C22H16N2O5 and a molecular weight of 388.38 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-[5-(4-oxochromen-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-[5-(4-oxochromen-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]quinolin-2-one
PubChem CID135788722
Molecular FormulaC22H16N2O5
Molecular Weight388.38 g/mol
Exact Mass388.11
IUPAC Name4-hydroxy-1-methyl-3-[5-(4-oxochromen-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]quinolin-2-one
SMILESCn1c(=O)c(C2=NOC(c3coc4ccccc4c3=O)C2)c(O)c2ccccc21
InChIInChI=1S/C22H16N2O5/c1-24-16-8-4-2-6-12(16)21(26)19(22(24)27)15-10-18(29-23-15)14-11-28-17-9-5-3-7-13(17)20(14)25/h2-9,11,18,26H,10H2,1H3
InChIKeyYAVLUKBBVVGTGM-UHFFFAOYSA-N
XLogP3.22
TPSA94.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-[5-(4-oxochromen-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]quinolin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-3-[5-(4-oxochromen-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]quinolin-2-one (CID 135788722) is 4-hydroxy-1-methyl-3-[5-(4-oxochromen-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]quinolin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-[5-(4-oxochromen-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]quinolin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-[5-(4-oxochromen-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]quinolin-2-one is Cn1c(=O)c(C2=NOC(c3coc4ccccc4c3=O)C2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-1-methyl-3-[5-(4-oxochromen-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]quinolin-2-one?
The InChIKey is YAVLUKBBVVGTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O5/c1-24-16-8-4-2-6-12(16)21(26)19(22(24)27)15-10-18(29-23-15)14-11-28-17-9-5-3-7-13(17)20(14)25/h2-9,11,18,26H,10H2,1H3.
What are the key properties of 4-hydroxy-1-methyl-3-[5-(4-oxochromen-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]quinolin-2-one?
4-hydroxy-1-methyl-3-[5-(4-oxochromen-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]quinolin-2-one has a molecular weight of 388.38 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-[5-(4-oxochromen-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]quinolin-2-one is sourced from PubChem (CID 135788722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).