3-(2-phenylethyl)-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione

C18H14N2O3 — CID 10494845

IUPAC3-(2-phenylethyl)-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c2oc(=O)n(CCc3ccccc3)c12
InChIInChI=1S/C18H14N2O3/c21-17-15-16(13-8-4-5-9-14(13)19-17)23-18(22)20(15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,21)
InChIKeyKPCJDXAEXDHSTA-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.68
Rot. Bonds3

About 3-(2-phenylethyl)-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione

3-(2-phenylethyl)-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione (PubChem CID 10494845) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-(2-phenylethyl)-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione.

Molecular Properties

Compound Name3-(2-phenylethyl)-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione
PubChem CID10494845
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name3-(2-phenylethyl)-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c2oc(=O)n(CCc3ccccc3)c12
InChIInChI=1S/C18H14N2O3/c21-17-15-16(13-8-4-5-9-14(13)19-17)23-18(22)20(15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,21)
InChIKeyKPCJDXAEXDHSTA-UHFFFAOYSA-N
XLogP2.68
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenyl)methyl]-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione
CID 10568171
3-(2-pyridin-4-ylethyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 60904360
1-methyl-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
CID 155977216
4-oxo-5H-furo[3,2-c]quinoline-2-carboxylic acid
CID 121001648
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide
CID 4068208
3-(2-phenylethyl)-1,3-oxazol-2-one
CID 155677682
6-amino-5-bromo-1-(2-phenylethyl)pyrimidine-2,4-dione
CID 17333776
1-benzyl-3,1-benzoxazine-2,4-dione
CID 520756
3-[2-(2-methoxyphenyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 17271636
6-methyl-3-(2-phenylethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 4507745
3-[2-(2-chlorophenyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 804985
3-(phenylmethoxymethyl)-1H-quinazoline-2,4-dione
CID 139951410

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione?
The IUPAC name of 3-(2-phenylethyl)-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione (CID 10494845) is 3-(2-phenylethyl)-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione.
What is the SMILES notation for 3-(2-phenylethyl)-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione?
The canonical SMILES for 3-(2-phenylethyl)-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione is O=c1[nH]c2ccccc2c2oc(=O)n(CCc3ccccc3)c12.
What is the InChIKey of 3-(2-phenylethyl)-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione?
The InChIKey is KPCJDXAEXDHSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-17-15-16(13-8-4-5-9-14(13)19-17)23-18(22)20(15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,21).
What are the key properties of 3-(2-phenylethyl)-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione?
3-(2-phenylethyl)-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione has a molecular weight of 306.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione is sourced from PubChem (CID 10494845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).