8-(aminomethyl)-7-phenyl-3,4-dihydro-1H-quinoxalin-2-one

C15H15N3O — CID 24831525

IUPAC8-(aminomethyl)-7-phenyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESNCc1c(-c2ccccc2)ccc2c1NC(=O)CN2
InChIInChI=1S/C15H15N3O/c16-8-12-11(10-4-2-1-3-5-10)6-7-13-15(12)18-14(19)9-17-13/h1-7,17H,8-9,16H2,(H,18,19)
InChIKeyYAHLHEYTNFTOOD-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.18
Rot. Bonds2

About 8-(aminomethyl)-7-phenyl-3,4-dihydro-1H-quinoxalin-2-one

8-(aminomethyl)-7-phenyl-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 24831525) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 8-(aminomethyl)-7-phenyl-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name8-(aminomethyl)-7-phenyl-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID24831525
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name8-(aminomethyl)-7-phenyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESNCc1c(-c2ccccc2)ccc2c1NC(=O)CN2
InChIInChI=1S/C15H15N3O/c16-8-12-11(10-4-2-1-3-5-10)6-7-13-15(12)18-14(19)9-17-13/h1-7,17H,8-9,16H2,(H,18,19)
InChIKeyYAHLHEYTNFTOOD-UHFFFAOYSA-N
XLogP2.18
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(aminomethyl)-7-phenyl-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 8-(aminomethyl)-7-phenyl-3,4-dihydro-1H-quinoxalin-2-one (CID 24831525) is 8-(aminomethyl)-7-phenyl-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 8-(aminomethyl)-7-phenyl-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 8-(aminomethyl)-7-phenyl-3,4-dihydro-1H-quinoxalin-2-one is NCc1c(-c2ccccc2)ccc2c1NC(=O)CN2.
What is the InChIKey of 8-(aminomethyl)-7-phenyl-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is YAHLHEYTNFTOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-8-12-11(10-4-2-1-3-5-10)6-7-13-15(12)18-14(19)9-17-13/h1-7,17H,8-9,16H2,(H,18,19).
What are the key properties of 8-(aminomethyl)-7-phenyl-3,4-dihydro-1H-quinoxalin-2-one?
8-(aminomethyl)-7-phenyl-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 253.31 g/mol, XLogP of 2.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-7-phenyl-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 24831525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).