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

C22H27N3O2 — CID 123349226

IUPACN-[2-(cyclohexylmethyl)-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
SMILESCC(=O)Nc1nc2c(nc1CC1CCCCC1)-c1ccc(CO)cc1CC2
InChIInChI=1S/C22H27N3O2/c1-14(27)23-22-20(12-15-5-3-2-4-6-15)24-21-18-9-7-16(13-26)11-17(18)8-10-19(21)25-22/h7,9,11,15,26H,2-6,8,10,12-13H2,1H3,(H,23,25,27)
InChIKeyMAAYSTCCXZVOFA-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.82
Rot. Bonds4

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

N-[2-(cyclohexylmethyl)-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide (PubChem CID 123349226) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[2-(cyclohexylmethyl)-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexylmethyl)-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
PubChem CID123349226
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[2-(cyclohexylmethyl)-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
SMILESCC(=O)Nc1nc2c(nc1CC1CCCCC1)-c1ccc(CO)cc1CC2
InChIInChI=1S/C22H27N3O2/c1-14(27)23-22-20(12-15-5-3-2-4-6-15)24-21-18-9-7-16(13-26)11-17(18)8-10-19(21)25-22/h7,9,11,15,26H,2-6,8,10,12-13H2,1H3,(H,23,25,27)
InChIKeyMAAYSTCCXZVOFA-UHFFFAOYSA-N
XLogP3.82
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylmethyl)-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide?
The IUPAC name of N-[2-(cyclohexylmethyl)-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide (CID 123349226) is N-[2-(cyclohexylmethyl)-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexylmethyl)-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexylmethyl)-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide is CC(=O)Nc1nc2c(nc1CC1CCCCC1)-c1ccc(CO)cc1CC2.
What is the InChIKey of N-[2-(cyclohexylmethyl)-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide?
The InChIKey is MAAYSTCCXZVOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-14(27)23-22-20(12-15-5-3-2-4-6-15)24-21-18-9-7-16(13-26)11-17(18)8-10-19(21)25-22/h7,9,11,15,26H,2-6,8,10,12-13H2,1H3,(H,23,25,27).
What are the key properties of N-[2-(cyclohexylmethyl)-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide?
N-[2-(cyclohexylmethyl)-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide has a molecular weight of 365.48 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylmethyl)-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide is sourced from PubChem (CID 123349226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).