1-[3-(aminomethyl)phenyl]-3,4-dihydroquinoxalin-2-one

C15H15N3O — CID 117030564

IUPAC1-[3-(aminomethyl)phenyl]-3,4-dihydroquinoxalin-2-one
SMILESNCc1cccc(N2C(=O)CNc3ccccc32)c1
InChIInChI=1S/C15H15N3O/c16-9-11-4-3-5-12(8-11)18-14-7-2-1-6-13(14)17-10-15(18)19/h1-8,17H,9-10,16H2
InChIKeyHNUJTNNWKWRENL-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.24
Rot. Bonds2

About 1-[3-(aminomethyl)phenyl]-3,4-dihydroquinoxalin-2-one

1-[3-(aminomethyl)phenyl]-3,4-dihydroquinoxalin-2-one (PubChem CID 117030564) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-3,4-dihydroquinoxalin-2-one
PubChem CID117030564
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1-[3-(aminomethyl)phenyl]-3,4-dihydroquinoxalin-2-one
SMILESNCc1cccc(N2C(=O)CNc3ccccc32)c1
InChIInChI=1S/C15H15N3O/c16-9-11-4-3-5-12(8-11)18-14-7-2-1-6-13(14)17-10-15(18)19/h1-8,17H,9-10,16H2
InChIKeyHNUJTNNWKWRENL-UHFFFAOYSA-N
XLogP2.24
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-3,4-dihydroquinoxalin-2-one (CID 117030564) is 1-[3-(aminomethyl)phenyl]-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-3,4-dihydroquinoxalin-2-one is NCc1cccc(N2C(=O)CNc3ccccc32)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-3,4-dihydroquinoxalin-2-one?
The InChIKey is HNUJTNNWKWRENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-9-11-4-3-5-12(8-11)18-14-7-2-1-6-13(14)17-10-15(18)19/h1-8,17H,9-10,16H2.
What are the key properties of 1-[3-(aminomethyl)phenyl]-3,4-dihydroquinoxalin-2-one?
1-[3-(aminomethyl)phenyl]-3,4-dihydroquinoxalin-2-one has a molecular weight of 253.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 117030564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).