4-hydroxy-7-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one

C16H17NO2 — CID 54677000

IUPAC4-hydroxy-7-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC1CCc2c([nH]c(=O)c(-c3ccccc3)c2O)C1
InChIInChI=1S/C16H17NO2/c1-10-7-8-12-13(9-10)17-16(19)14(15(12)18)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,17,18,19)
InChIKeyVPWTZJBXKSFWRP-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.87
Rot. Bonds1

About 4-hydroxy-7-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one

4-hydroxy-7-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 54677000) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-hydroxy-7-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-7-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID54677000
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name4-hydroxy-7-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC1CCc2c([nH]c(=O)c(-c3ccccc3)c2O)C1
InChIInChI=1S/C16H17NO2/c1-10-7-8-12-13(9-10)17-16(19)14(15(12)18)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,17,18,19)
InChIKeyVPWTZJBXKSFWRP-UHFFFAOYSA-N
XLogP2.87
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 4-hydroxy-7-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 54677000) is 4-hydroxy-7-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-7-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 4-hydroxy-7-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one is CC1CCc2c([nH]c(=O)c(-c3ccccc3)c2O)C1.
What is the InChIKey of 4-hydroxy-7-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is VPWTZJBXKSFWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-10-7-8-12-13(9-10)17-16(19)14(15(12)18)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,17,18,19).
What are the key properties of 4-hydroxy-7-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
4-hydroxy-7-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 255.32 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 54677000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).