2-cyclohexyl-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide

C76H90N12O8 — CID 160747085

IUPAC2-cyclohexyl-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide
SMILESCC(=O)Nc1nc2c(nc1C)-c1ccc(CO)cc1CC2.CCC(C)C(=O)Nc1nc2c(nc1C)-c1ccc(CO)cc1CC2.Cc1nc2c(nc1NC(=O)CC(C)C)CCc1cc(CO)ccc1-2.Cc1nc2c(nc1NC(=O)CC1CCCCC1)CCc1cc(CO)ccc1-2
InChIInChI=1S/C22H27N3O2.2C19H23N3O2.C16H17N3O2/c1-14-22(25-20(27)12-15-5-3-2-4-6-15)24-19-10-8-17-11-16(13-26)7-9-18(17)21(19)23-14;1-11(2)8-17(24)22-19-12(3)20-18-15-6-4-13(10-23)9-14(15)5-7-16(18)21-19;1-4-11(2)19(24)22-18-12(3)20-17-15-7-5-13(10-23)9-14(15)6-8-16(17)21-18;1-9-16(18-10(2)21)19-14-6-4-12-7-11(8-20)3-5-13(12)15(14)17-9/h7,9,11,15,26H,2-6,8,10,12-13H2,1H3,(H,24,25,27);4,6,9,11,23H,5,7-8,10H2,1-3H3,(H,21,22,24);5,7,9,11,23H,4,6,8,10H2,1-3H3,(H,21,22,24);3,5,7,20H,4,6,8H2,1-2H3,(H,18,19,21)
InChIKeyRWICXAVHNWYMLF-UHFFFAOYSA-N
MW1299.63 g/mol
LogP12.01
Rot. Bonds14

About 2-cyclohexyl-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide

2-cyclohexyl-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide (PubChem CID 160747085) has the molecular formula C76H90N12O8 and a molecular weight of 1299.63 g/mol. Its IUPAC name is 2-cyclohexyl-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide
PubChem CID160747085
Molecular FormulaC76H90N12O8
Molecular Weight1299.63 g/mol
Exact Mass1298.70
IUPAC Name2-cyclohexyl-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide
SMILESCC(=O)Nc1nc2c(nc1C)-c1ccc(CO)cc1CC2.CCC(C)C(=O)Nc1nc2c(nc1C)-c1ccc(CO)cc1CC2.Cc1nc2c(nc1NC(=O)CC(C)C)CCc1cc(CO)ccc1-2.Cc1nc2c(nc1NC(=O)CC1CCCCC1)CCc1cc(CO)ccc1-2
InChIInChI=1S/C22H27N3O2.2C19H23N3O2.C16H17N3O2/c1-14-22(25-20(27)12-15-5-3-2-4-6-15)24-19-10-8-17-11-16(13-26)7-9-18(17)21(19)23-14;1-11(2)8-17(24)22-19-12(3)20-18-15-6-4-13(10-23)9-14(15)5-7-16(18)21-19;1-4-11(2)19(24)22-18-12(3)20-17-15-7-5-13(10-23)9-14(15)6-8-16(17)21-18;1-9-16(18-10(2)21)19-14-6-4-12-7-11(8-20)3-5-13(12)15(14)17-9/h7,9,11,15,26H,2-6,8,10,12-13H2,1H3,(H,24,25,27);4,6,9,11,23H,5,7-8,10H2,1-3H3,(H,21,22,24);5,7,9,11,23H,4,6,8,10H2,1-3H3,(H,21,22,24);3,5,7,20H,4,6,8H2,1-2H3,(H,18,19,21)
InChIKeyRWICXAVHNWYMLF-UHFFFAOYSA-N
XLogP12.01
TPSA300.44 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001299.63
LogP ≤ 512.01
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze 2-cyclohexyl-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclohexyl-N-(8-hydroxy-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide;N-(8-hydroxy-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide;N-(8-hydroxy-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-methylbutanamide;N-(8-hydroxy-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylbutanamide
CID 161480901
N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-cyclohexylacetamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide
CID 160794315
2-cyclohexyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide;2-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;3-methyl-N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)butanamide;N-(2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
CID 159553443
N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-cyclohexylacetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide
CID 159776307
N-[8-amino-2-[(E)-2-phenylethenyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-amino-2-[(E)-2-phenylethenyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-cyclohexylacetamide;N-[8-amino-2-[(E)-2-phenylethenyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[8-amino-2-[(E)-2-phenylethenyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide
CID 158506355
N-[2-(cyclohexylmethyl)-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
CID 123349226
N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-methylbutanamide
CID 89009592
N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide
CID 137125590
N-[2-(cyclopentylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide
CID 136625388
N-[8-(hydroxymethyl)-2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide
CID 123263060
N-[2-(cyclopentylmethyl)-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide
CID 123742162
N-[2-(2-cyclohexylethyl)-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide
CID 123622082

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide?
The IUPAC name of 2-cyclohexyl-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide (CID 160747085) is 2-cyclohexyl-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide.
What is the SMILES notation for 2-cyclohexyl-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide?
The canonical SMILES for 2-cyclohexyl-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide is CC(=O)Nc1nc2c(nc1C)-c1ccc(CO)cc1CC2.CCC(C)C(=O)Nc1nc2c(nc1C)-c1ccc(CO)cc1CC2.Cc1nc2c(nc1NC(=O)CC(C)C)CCc1cc(CO)ccc1-2.Cc1nc2c(nc1NC(=O)CC1CCCCC1)CCc1cc(CO)ccc1-2.
What is the InChIKey of 2-cyclohexyl-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide?
The InChIKey is RWICXAVHNWYMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.2C19H23N3O2.C16H17N3O2/c1-14-22(25-20(27)12-15-5-3-2-4-6-15)24-19-10-8-17-11-16(13-26)7-9-18(17)21(19)23-14;1-11(2)8-17(24)22-19-12(3)20-18-15-6-4-13(10-23)9-14(15)5-7-16(18)21-19;1-4-11(2)19(24)22-18-12(3)20-17-15-7-5-13(10-23)9-14(15)6-8-16(17)21-18;1-9-16(18-10(2)21)19-14-6-4-12-7-11(8-20)3-5-13(12)15(14)17-9/h7,9,11,15,26H,2-6,8,10,12-13H2,1H3,(H,24,25,27);4,6,9,11,23H,5,7-8,10H2,1-3H3,(H,21,22,24);5,7,9,11,23H,4,6,8,10H2,1-3H3,(H,21,22,24);3,5,7,20H,4,6,8H2,1-2H3,(H,18,19,21).
What are the key properties of 2-cyclohexyl-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide?
2-cyclohexyl-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide has a molecular weight of 1299.63 g/mol, XLogP of 12.01, 14 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[8-(hydroxymethyl)-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide is sourced from PubChem (CID 160747085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).