3-benzyl-4-hydroxy-1H-quinolin-2-one

C16H13NO2 — CID 54680363

IUPAC3-benzyl-4-hydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(O)c1Cc1ccccc1
InChIInChI=1S/C16H13NO2/c18-15-12-8-4-5-9-14(12)17-16(19)13(15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,18,19)
InChIKeyNVGZWGUUHGGGEY-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.82
Rot. Bonds2

About 3-benzyl-4-hydroxy-1H-quinolin-2-one

3-benzyl-4-hydroxy-1H-quinolin-2-one (PubChem CID 54680363) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-benzyl-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-benzyl-4-hydroxy-1H-quinolin-2-one
PubChem CID54680363
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name3-benzyl-4-hydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(O)c1Cc1ccccc1
InChIInChI=1S/C16H13NO2/c18-15-12-8-4-5-9-14(12)17-16(19)13(15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,18,19)
InChIKeyNVGZWGUUHGGGEY-UHFFFAOYSA-N
XLogP2.82
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 3-benzyl-4-hydroxy-1H-quinolin-2-one (CID 54680363) is 3-benzyl-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 3-benzyl-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 3-benzyl-4-hydroxy-1H-quinolin-2-one is O=c1[nH]c2ccccc2c(O)c1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-hydroxy-1H-quinolin-2-one?
The InChIKey is NVGZWGUUHGGGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-15-12-8-4-5-9-14(12)17-16(19)13(15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,18,19).
What are the key properties of 3-benzyl-4-hydroxy-1H-quinolin-2-one?
3-benzyl-4-hydroxy-1H-quinolin-2-one has a molecular weight of 251.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 54680363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).