1-(naphthalen-1-ylmethyl)-3,4-dihydroquinoxalin-2-one

C19H16N2O — CID 82156899

IUPAC1-(naphthalen-1-ylmethyl)-3,4-dihydroquinoxalin-2-one
SMILESO=C1CNc2ccccc2N1Cc1cccc2ccccc12
InChIInChI=1S/C19H16N2O/c22-19-12-20-17-10-3-4-11-18(17)21(19)13-15-8-5-7-14-6-1-2-9-16(14)15/h1-11,20H,12-13H2
InChIKeyRRJLGNNIZKMULV-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.80
Rot. Bonds2

About 1-(naphthalen-1-ylmethyl)-3,4-dihydroquinoxalin-2-one

1-(naphthalen-1-ylmethyl)-3,4-dihydroquinoxalin-2-one (PubChem CID 82156899) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)-3,4-dihydroquinoxalin-2-one
PubChem CID82156899
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name1-(naphthalen-1-ylmethyl)-3,4-dihydroquinoxalin-2-one
SMILESO=C1CNc2ccccc2N1Cc1cccc2ccccc12
InChIInChI=1S/C19H16N2O/c22-19-12-20-17-10-3-4-11-18(17)21(19)13-15-8-5-7-14-6-1-2-9-16(14)15/h1-11,20H,12-13H2
InChIKeyRRJLGNNIZKMULV-UHFFFAOYSA-N
XLogP3.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1-(naphthalen-1-ylmethyl)-3,4-dihydroquinoxalin-2-one (CID 82156899) is 1-(naphthalen-1-ylmethyl)-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)-3,4-dihydroquinoxalin-2-one is O=C1CNc2ccccc2N1Cc1cccc2ccccc12.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)-3,4-dihydroquinoxalin-2-one?
The InChIKey is RRJLGNNIZKMULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c22-19-12-20-17-10-3-4-11-18(17)21(19)13-15-8-5-7-14-6-1-2-9-16(14)15/h1-11,20H,12-13H2.
What are the key properties of 1-(naphthalen-1-ylmethyl)-3,4-dihydroquinoxalin-2-one?
1-(naphthalen-1-ylmethyl)-3,4-dihydroquinoxalin-2-one has a molecular weight of 288.35 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 82156899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).