3-[hydroxy(phenyl)methyl]-1,4-dimethyl-3,4-dihydroquinolin-2-one

C18H19NO2 — CID 11323497

IUPAC3-[hydroxy(phenyl)methyl]-1,4-dimethyl-3,4-dihydroquinolin-2-one
SMILESCC1c2ccccc2N(C)C(=O)C1C(O)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-12-14-10-6-7-11-15(14)19(2)18(21)16(12)17(20)13-8-4-3-5-9-13/h3-12,16-17,20H,1-2H3
InChIKeyHESNYUFRQLCCOW-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.12
Rot. Bonds2

About 3-[hydroxy(phenyl)methyl]-1,4-dimethyl-3,4-dihydroquinolin-2-one

3-[hydroxy(phenyl)methyl]-1,4-dimethyl-3,4-dihydroquinolin-2-one (PubChem CID 11323497) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[hydroxy(phenyl)methyl]-1,4-dimethyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name3-[hydroxy(phenyl)methyl]-1,4-dimethyl-3,4-dihydroquinolin-2-one
PubChem CID11323497
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name3-[hydroxy(phenyl)methyl]-1,4-dimethyl-3,4-dihydroquinolin-2-one
SMILESCC1c2ccccc2N(C)C(=O)C1C(O)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-12-14-10-6-7-11-15(14)19(2)18(21)16(12)17(20)13-8-4-3-5-9-13/h3-12,16-17,20H,1-2H3
InChIKeyHESNYUFRQLCCOW-UHFFFAOYSA-N
XLogP3.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(phenyl)methyl]-1,4-dimethyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 3-[hydroxy(phenyl)methyl]-1,4-dimethyl-3,4-dihydroquinolin-2-one (CID 11323497) is 3-[hydroxy(phenyl)methyl]-1,4-dimethyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 3-[hydroxy(phenyl)methyl]-1,4-dimethyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 3-[hydroxy(phenyl)methyl]-1,4-dimethyl-3,4-dihydroquinolin-2-one is CC1c2ccccc2N(C)C(=O)C1C(O)c1ccccc1.
What is the InChIKey of 3-[hydroxy(phenyl)methyl]-1,4-dimethyl-3,4-dihydroquinolin-2-one?
The InChIKey is HESNYUFRQLCCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12-14-10-6-7-11-15(14)19(2)18(21)16(12)17(20)13-8-4-3-5-9-13/h3-12,16-17,20H,1-2H3.
What are the key properties of 3-[hydroxy(phenyl)methyl]-1,4-dimethyl-3,4-dihydroquinolin-2-one?
3-[hydroxy(phenyl)methyl]-1,4-dimethyl-3,4-dihydroquinolin-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(phenyl)methyl]-1,4-dimethyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 11323497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).