ethane;6-hydroxy-3-methoxy-7-phenyl-1H-quinolin-2-one

C18H19NO3 — CID 144625825

IUPACethane;6-hydroxy-3-methoxy-7-phenyl-1H-quinolin-2-one
SMILESCC.COc1cc2cc(O)c(-c3ccccc3)cc2[nH]c1=O
InChIInChI=1S/C16H13NO3.C2H6/c1-20-15-8-11-7-14(18)12(9-13(11)17-16(15)19)10-5-3-2-4-6-10;1-2/h2-9,18H,1H3,(H,17,19);1-2H3
InChIKeyAWFLRTWRJAXQBK-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.94
Rot. Bonds2

About ethane;6-hydroxy-3-methoxy-7-phenyl-1H-quinolin-2-one

ethane;6-hydroxy-3-methoxy-7-phenyl-1H-quinolin-2-one (PubChem CID 144625825) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is ethane;6-hydroxy-3-methoxy-7-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Nameethane;6-hydroxy-3-methoxy-7-phenyl-1H-quinolin-2-one
PubChem CID144625825
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Nameethane;6-hydroxy-3-methoxy-7-phenyl-1H-quinolin-2-one
SMILESCC.COc1cc2cc(O)c(-c3ccccc3)cc2[nH]c1=O
InChIInChI=1S/C16H13NO3.C2H6/c1-20-15-8-11-7-14(18)12(9-13(11)17-16(15)19)10-5-3-2-4-6-10;1-2/h2-9,18H,1H3,(H,17,19);1-2H3
InChIKeyAWFLRTWRJAXQBK-UHFFFAOYSA-N
XLogP3.94
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;6-hydroxy-3-methoxy-7-phenyl-1H-quinolin-2-one?
The IUPAC name of ethane;6-hydroxy-3-methoxy-7-phenyl-1H-quinolin-2-one (CID 144625825) is ethane;6-hydroxy-3-methoxy-7-phenyl-1H-quinolin-2-one.
What is the SMILES notation for ethane;6-hydroxy-3-methoxy-7-phenyl-1H-quinolin-2-one?
The canonical SMILES for ethane;6-hydroxy-3-methoxy-7-phenyl-1H-quinolin-2-one is CC.COc1cc2cc(O)c(-c3ccccc3)cc2[nH]c1=O.
What is the InChIKey of ethane;6-hydroxy-3-methoxy-7-phenyl-1H-quinolin-2-one?
The InChIKey is AWFLRTWRJAXQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3.C2H6/c1-20-15-8-11-7-14(18)12(9-13(11)17-16(15)19)10-5-3-2-4-6-10;1-2/h2-9,18H,1H3,(H,17,19);1-2H3.
What are the key properties of ethane;6-hydroxy-3-methoxy-7-phenyl-1H-quinolin-2-one?
ethane;6-hydroxy-3-methoxy-7-phenyl-1H-quinolin-2-one has a molecular weight of 297.35 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-hydroxy-3-methoxy-7-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 144625825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).