2-(4-hydroxyphenyl)-N-(2-methyl-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide

C21H18N4O3 — CID 143000495

IUPAC2-(4-hydroxyphenyl)-N-(2-methyl-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
SMILESCc1nc2c(nc1NC(=O)Cc1ccc(O)cc1)CCc1cc(N=O)ccc1-2
InChIInChI=1S/C21H18N4O3/c1-12-21(24-19(27)10-13-2-6-16(26)7-3-13)23-18-9-4-14-11-15(25-28)5-8-17(14)20(18)22-12/h2-3,5-8,11,26H,4,9-10H2,1H3,(H,23,24,27)
InChIKeyYEOBSHFEEIPMEZ-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.84
Rot. Bonds4

About 2-(4-hydroxyphenyl)-N-(2-methyl-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide

2-(4-hydroxyphenyl)-N-(2-methyl-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide (PubChem CID 143000495) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-(2-methyl-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-N-(2-methyl-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
PubChem CID143000495
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name2-(4-hydroxyphenyl)-N-(2-methyl-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
SMILESCc1nc2c(nc1NC(=O)Cc1ccc(O)cc1)CCc1cc(N=O)ccc1-2
InChIInChI=1S/C21H18N4O3/c1-12-21(24-19(27)10-13-2-6-16(26)7-3-13)23-18-9-4-14-11-15(25-28)5-8-17(14)20(18)22-12/h2-3,5-8,11,26H,4,9-10H2,1H3,(H,23,24,27)
InChIKeyYEOBSHFEEIPMEZ-UHFFFAOYSA-N
XLogP3.84
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(8-fluoro-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide
CID 70830271
2-(4-fluorophenyl)-N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
CID 137030979
N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide
CID 136625045
ethane;N-(2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-methylphenyl)acetamide
CID 143000993
N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide
CID 89009367
N-(2-cyclohexyl-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-naphthalen-2-ylacetamide
CID 143000137
N-(8-fluoro-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 123368208
N-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide
CID 137078302
2-(4-chlorophenyl)-N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
CID 137106069
2-(4-chlorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
CID 136625384
ethane;2-(4-fluorophenyl)-N-(8-hydroxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
CID 143000542
N-(2-cyclohexyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide
CID 123717833

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-N-(2-methyl-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide?
The IUPAC name of 2-(4-hydroxyphenyl)-N-(2-methyl-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide (CID 143000495) is 2-(4-hydroxyphenyl)-N-(2-methyl-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-N-(2-methyl-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-N-(2-methyl-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide is Cc1nc2c(nc1NC(=O)Cc1ccc(O)cc1)CCc1cc(N=O)ccc1-2.
What is the InChIKey of 2-(4-hydroxyphenyl)-N-(2-methyl-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide?
The InChIKey is YEOBSHFEEIPMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-12-21(24-19(27)10-13-2-6-16(26)7-3-13)23-18-9-4-14-11-15(25-28)5-8-17(14)20(18)22-12/h2-3,5-8,11,26H,4,9-10H2,1H3,(H,23,24,27).
What are the key properties of 2-(4-hydroxyphenyl)-N-(2-methyl-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide?
2-(4-hydroxyphenyl)-N-(2-methyl-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide has a molecular weight of 374.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-N-(2-methyl-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide is sourced from PubChem (CID 143000495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).