1-methyl-5-(2-phenylethylimino)-7,8-dihydro-6H-quinolin-2-one

C18H20N2O — CID 10468884

IUPAC1-methyl-5-(2-phenylethylimino)-7,8-dihydro-6H-quinolin-2-one
SMILESCn1c2c(ccc1=O)/C(=N/CCc1ccccc1)CCC2
InChIInChI=1S/C18H20N2O/c1-20-17-9-5-8-16(15(17)10-11-18(20)21)19-13-12-14-6-3-2-4-7-14/h2-4,6-7,10-11H,5,8-9,12-13H2,1H3/b19-16+
InChIKeyPSASVLVPNMQLGN-KNTRCKAVSA-N
MW280.37 g/mol
LogP2.75
Rot. Bonds3

About 1-methyl-5-(2-phenylethylimino)-7,8-dihydro-6H-quinolin-2-one

1-methyl-5-(2-phenylethylimino)-7,8-dihydro-6H-quinolin-2-one (PubChem CID 10468884) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-methyl-5-(2-phenylethylimino)-7,8-dihydro-6H-quinolin-2-one.

Molecular Properties

Compound Name1-methyl-5-(2-phenylethylimino)-7,8-dihydro-6H-quinolin-2-one
PubChem CID10468884
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-methyl-5-(2-phenylethylimino)-7,8-dihydro-6H-quinolin-2-one
SMILESCn1c2c(ccc1=O)/C(=N/CCc1ccccc1)CCC2
InChIInChI=1S/C18H20N2O/c1-20-17-9-5-8-16(15(17)10-11-18(20)21)19-13-12-14-6-3-2-4-7-14/h2-4,6-7,10-11H,5,8-9,12-13H2,1H3/b19-16+
InChIKeyPSASVLVPNMQLGN-KNTRCKAVSA-N
XLogP2.75
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-phenylethylimino)-7,8-dihydro-6H-quinolin-2-one?
The IUPAC name of 1-methyl-5-(2-phenylethylimino)-7,8-dihydro-6H-quinolin-2-one (CID 10468884) is 1-methyl-5-(2-phenylethylimino)-7,8-dihydro-6H-quinolin-2-one.
What is the SMILES notation for 1-methyl-5-(2-phenylethylimino)-7,8-dihydro-6H-quinolin-2-one?
The canonical SMILES for 1-methyl-5-(2-phenylethylimino)-7,8-dihydro-6H-quinolin-2-one is Cn1c2c(ccc1=O)/C(=N/CCc1ccccc1)CCC2.
What is the InChIKey of 1-methyl-5-(2-phenylethylimino)-7,8-dihydro-6H-quinolin-2-one?
The InChIKey is PSASVLVPNMQLGN-KNTRCKAVSA-N. The full InChI is InChI=1S/C18H20N2O/c1-20-17-9-5-8-16(15(17)10-11-18(20)21)19-13-12-14-6-3-2-4-7-14/h2-4,6-7,10-11H,5,8-9,12-13H2,1H3/b19-16+.
What are the key properties of 1-methyl-5-(2-phenylethylimino)-7,8-dihydro-6H-quinolin-2-one?
1-methyl-5-(2-phenylethylimino)-7,8-dihydro-6H-quinolin-2-one has a molecular weight of 280.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-phenylethylimino)-7,8-dihydro-6H-quinolin-2-one is sourced from PubChem (CID 10468884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).