N-[2-ethyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide

C22H21N3O2 — CID 123953975

IUPACN-[2-ethyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide
SMILESCCc1nc2c(nc1NC(=O)c1ccccc1)CCc1cc(CO)ccc1-2
InChIInChI=1S/C22H21N3O2/c1-2-18-21(25-22(27)15-6-4-3-5-7-15)24-19-11-9-16-12-14(13-26)8-10-17(16)20(19)23-18/h3-8,10,12,26H,2,9,11,13H2,1H3,(H,24,25,27)
InChIKeyATDYBDSNVJHSSK-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.55
Rot. Bonds4

About N-[2-ethyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide

N-[2-ethyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide (PubChem CID 123953975) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[2-ethyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-ethyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide
PubChem CID123953975
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[2-ethyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide
SMILESCCc1nc2c(nc1NC(=O)c1ccccc1)CCc1cc(CO)ccc1-2
InChIInChI=1S/C22H21N3O2/c1-2-18-21(25-22(27)15-6-4-3-5-7-15)24-19-11-9-16-12-14(13-26)8-10-17(16)20(19)23-18/h3-8,10,12,26H,2,9,11,13H2,1H3,(H,24,25,27)
InChIKeyATDYBDSNVJHSSK-UHFFFAOYSA-N
XLogP3.55
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide?
The IUPAC name of N-[2-ethyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide (CID 123953975) is N-[2-ethyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide.
What is the SMILES notation for N-[2-ethyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide?
The canonical SMILES for N-[2-ethyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide is CCc1nc2c(nc1NC(=O)c1ccccc1)CCc1cc(CO)ccc1-2.
What is the InChIKey of N-[2-ethyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide?
The InChIKey is ATDYBDSNVJHSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-2-18-21(25-22(27)15-6-4-3-5-7-15)24-19-11-9-16-12-14(13-26)8-10-17(16)20(19)23-18/h3-8,10,12,26H,2,9,11,13H2,1H3,(H,24,25,27).
What are the key properties of N-[2-ethyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide?
N-[2-ethyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide has a molecular weight of 359.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide is sourced from PubChem (CID 123953975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).