3-amino-1-methyl-4-phenyl-3,4-dihydroquinolin-2-one

C16H16N2O — CID 22312029

IUPAC3-amino-1-methyl-4-phenyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)C(N)C(c2ccccc2)c2ccccc21
InChIInChI=1S/C16H16N2O/c1-18-13-10-6-5-9-12(13)14(15(17)16(18)19)11-7-3-2-4-8-11/h2-10,14-15H,17H2,1H3
InChIKeyZTUCSRRDSYNZPB-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.12
Rot. Bonds1

About 3-amino-1-methyl-4-phenyl-3,4-dihydroquinolin-2-one

3-amino-1-methyl-4-phenyl-3,4-dihydroquinolin-2-one (PubChem CID 22312029) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-amino-1-methyl-4-phenyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name3-amino-1-methyl-4-phenyl-3,4-dihydroquinolin-2-one
PubChem CID22312029
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name3-amino-1-methyl-4-phenyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)C(N)C(c2ccccc2)c2ccccc21
InChIInChI=1S/C16H16N2O/c1-18-13-10-6-5-9-12(13)14(15(17)16(18)19)11-7-3-2-4-8-11/h2-10,14-15H,17H2,1H3
InChIKeyZTUCSRRDSYNZPB-UHFFFAOYSA-N
XLogP2.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-4-phenyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 3-amino-1-methyl-4-phenyl-3,4-dihydroquinolin-2-one (CID 22312029) is 3-amino-1-methyl-4-phenyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 3-amino-1-methyl-4-phenyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 3-amino-1-methyl-4-phenyl-3,4-dihydroquinolin-2-one is CN1C(=O)C(N)C(c2ccccc2)c2ccccc21.
What is the InChIKey of 3-amino-1-methyl-4-phenyl-3,4-dihydroquinolin-2-one?
The InChIKey is ZTUCSRRDSYNZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-18-13-10-6-5-9-12(13)14(15(17)16(18)19)11-7-3-2-4-8-11/h2-10,14-15H,17H2,1H3.
What are the key properties of 3-amino-1-methyl-4-phenyl-3,4-dihydroquinolin-2-one?
3-amino-1-methyl-4-phenyl-3,4-dihydroquinolin-2-one has a molecular weight of 252.32 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-4-phenyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 22312029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).