3-ethyl-4-hydroxy-7-methoxy-1H-quinolin-2-one

C12H13NO3 — CID 54697129

IUPAC3-ethyl-4-hydroxy-7-methoxy-1H-quinolin-2-one
SMILESCCc1c(O)c2ccc(OC)cc2[nH]c1=O
InChIInChI=1S/C12H13NO3/c1-3-8-11(14)9-5-4-7(16-2)6-10(9)13-12(8)15/h4-6H,3H2,1-2H3,(H2,13,14,15)
InChIKeyYKDQPUXVFDARIG-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.80
Rot. Bonds2

About 3-ethyl-4-hydroxy-7-methoxy-1H-quinolin-2-one

3-ethyl-4-hydroxy-7-methoxy-1H-quinolin-2-one (PubChem CID 54697129) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-ethyl-4-hydroxy-7-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-ethyl-4-hydroxy-7-methoxy-1H-quinolin-2-one
PubChem CID54697129
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name3-ethyl-4-hydroxy-7-methoxy-1H-quinolin-2-one
SMILESCCc1c(O)c2ccc(OC)cc2[nH]c1=O
InChIInChI=1S/C12H13NO3/c1-3-8-11(14)9-5-4-7(16-2)6-10(9)13-12(8)15/h4-6H,3H2,1-2H3,(H2,13,14,15)
InChIKeyYKDQPUXVFDARIG-UHFFFAOYSA-N
XLogP1.80
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 5382213
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CID 795356
CID 795356
CID 795596
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CID 1485674
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CID 139369
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CID 12968471
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CID 9942361
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CID 761548
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CID 600262
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-hydroxy-7-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-ethyl-4-hydroxy-7-methoxy-1H-quinolin-2-one (CID 54697129) is 3-ethyl-4-hydroxy-7-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-ethyl-4-hydroxy-7-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-ethyl-4-hydroxy-7-methoxy-1H-quinolin-2-one is CCc1c(O)c2ccc(OC)cc2[nH]c1=O.
What is the InChIKey of 3-ethyl-4-hydroxy-7-methoxy-1H-quinolin-2-one?
The InChIKey is YKDQPUXVFDARIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-3-8-11(14)9-5-4-7(16-2)6-10(9)13-12(8)15/h4-6H,3H2,1-2H3,(H2,13,14,15).
What are the key properties of 3-ethyl-4-hydroxy-7-methoxy-1H-quinolin-2-one?
3-ethyl-4-hydroxy-7-methoxy-1H-quinolin-2-one has a molecular weight of 219.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxy-7-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 54697129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).