N-[2-(cyclopentylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide

C23H29N3O2 — CID 136625388

IUPACN-[2-(cyclopentylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1nc2c(nc1CC1CCCC1)-c1ccc(O)cc1CC2
InChIInChI=1S/C23H29N3O2/c1-14(2)11-21(28)26-23-20(12-15-5-3-4-6-15)24-22-18-9-8-17(27)13-16(18)7-10-19(22)25-23/h8-9,13-15,27H,3-7,10-12H2,1-2H3,(H,25,26,28)
InChIKeyRMFHWBPCOXXFSJ-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.67
Rot. Bonds5

About N-[2-(cyclopentylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide

N-[2-(cyclopentylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide (PubChem CID 136625388) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[2-(cyclopentylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(cyclopentylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide
PubChem CID136625388
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[2-(cyclopentylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1nc2c(nc1CC1CCCC1)-c1ccc(O)cc1CC2
InChIInChI=1S/C23H29N3O2/c1-14(2)11-21(28)26-23-20(12-15-5-3-4-6-15)24-22-18-9-8-17(27)13-16(18)7-10-19(22)25-23/h8-9,13-15,27H,3-7,10-12H2,1-2H3,(H,25,26,28)
InChIKeyRMFHWBPCOXXFSJ-UHFFFAOYSA-N
XLogP4.67
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-(2-benzyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylbutanamide
CID 136625019
ethane;N-[2-[(3-ethylcycloheptyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide
CID 143000273
N-[2-(cyclohexylmethyl)-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide
CID 70830338
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-[2-(cyclohexylmethyl)-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
CID 123349226
N-[2-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide
CID 143000361
N-[2-(cyclohexylmethyl)-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide
CID 123456382
N-[8-hydroxy-2-[(E)-2-phenylethenyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide
CID 140639327
N-[2-(cyclopentylmethyl)-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide
CID 123742162
N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-methylbutanamide
CID 136625072
N-[2-(cyclopentylmethyl)-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 123742818

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide?
The IUPAC name of N-[2-(cyclopentylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide (CID 136625388) is N-[2-(cyclopentylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(cyclopentylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[2-(cyclopentylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide is CC(C)CC(=O)Nc1nc2c(nc1CC1CCCC1)-c1ccc(O)cc1CC2.
What is the InChIKey of N-[2-(cyclopentylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide?
The InChIKey is RMFHWBPCOXXFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-14(2)11-21(28)26-23-20(12-15-5-3-4-6-15)24-22-18-9-8-17(27)13-16(18)7-10-19(22)25-23/h8-9,13-15,27H,3-7,10-12H2,1-2H3,(H,25,26,28).
What are the key properties of N-[2-(cyclopentylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide?
N-[2-(cyclopentylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide has a molecular weight of 379.50 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide is sourced from PubChem (CID 136625388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).