3-(4-aminophenyl)-1-methylquinolin-2-one;ethane

C20H26N2O — CID 90778369

IUPAC3-(4-aminophenyl)-1-methylquinolin-2-one;ethane
SMILESCC.CC.Cn1c(=O)c(-c2ccc(N)cc2)cc2ccccc21
InChIInChI=1S/C16H14N2O.2C2H6/c1-18-15-5-3-2-4-12(15)10-14(16(18)19)11-6-8-13(17)9-7-11;2*1-2/h2-10H,17H2,1H3;2*1-2H3
InChIKeyKRJRQYKDZJZLKA-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.84
Rot. Bonds1

About 3-(4-aminophenyl)-1-methylquinolin-2-one;ethane

3-(4-aminophenyl)-1-methylquinolin-2-one;ethane (PubChem CID 90778369) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1-methylquinolin-2-one;ethane.

Molecular Properties

Compound Name3-(4-aminophenyl)-1-methylquinolin-2-one;ethane
PubChem CID90778369
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-(4-aminophenyl)-1-methylquinolin-2-one;ethane
SMILESCC.CC.Cn1c(=O)c(-c2ccc(N)cc2)cc2ccccc21
InChIInChI=1S/C16H14N2O.2C2H6/c1-18-15-5-3-2-4-12(15)10-14(16(18)19)11-6-8-13(17)9-7-11;2*1-2/h2-10H,17H2,1H3;2*1-2H3
InChIKeyKRJRQYKDZJZLKA-UHFFFAOYSA-N
XLogP4.84
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1-methylquinolin-2-one;ethane?
The IUPAC name of 3-(4-aminophenyl)-1-methylquinolin-2-one;ethane (CID 90778369) is 3-(4-aminophenyl)-1-methylquinolin-2-one;ethane.
What is the SMILES notation for 3-(4-aminophenyl)-1-methylquinolin-2-one;ethane?
The canonical SMILES for 3-(4-aminophenyl)-1-methylquinolin-2-one;ethane is CC.CC.Cn1c(=O)c(-c2ccc(N)cc2)cc2ccccc21.
What is the InChIKey of 3-(4-aminophenyl)-1-methylquinolin-2-one;ethane?
The InChIKey is KRJRQYKDZJZLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O.2C2H6/c1-18-15-5-3-2-4-12(15)10-14(16(18)19)11-6-8-13(17)9-7-11;2*1-2/h2-10H,17H2,1H3;2*1-2H3.
What are the key properties of 3-(4-aminophenyl)-1-methylquinolin-2-one;ethane?
3-(4-aminophenyl)-1-methylquinolin-2-one;ethane has a molecular weight of 310.44 g/mol, XLogP of 4.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1-methylquinolin-2-one;ethane is sourced from PubChem (CID 90778369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).