N-(2-benzyl-8,10-dihydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide

C27H23N3O4 — CID 136863038

IUPACN-(2-benzyl-8,10-dihydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)Nc1nc2c(nc1Cc1ccccc1)-c1c(O)cc(O)cc1CC2
InChIInChI=1S/C27H23N3O4/c31-19-9-6-17(7-10-19)13-24(34)30-27-22(12-16-4-2-1-3-5-16)28-26-21(29-27)11-8-18-14-20(32)15-23(33)25(18)26/h1-7,9-10,14-15,31-33H,8,11-13H2,(H,29,30,34)
InChIKeyWEWNZCOIGMUNDD-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.13
Rot. Bonds5

About N-(2-benzyl-8,10-dihydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide

N-(2-benzyl-8,10-dihydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide (PubChem CID 136863038) has the molecular formula C27H23N3O4 and a molecular weight of 453.50 g/mol. Its IUPAC name is N-(2-benzyl-8,10-dihydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-benzyl-8,10-dihydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide
PubChem CID136863038
Molecular FormulaC27H23N3O4
Molecular Weight453.50 g/mol
Exact Mass453.17
IUPAC NameN-(2-benzyl-8,10-dihydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)Nc1nc2c(nc1Cc1ccccc1)-c1c(O)cc(O)cc1CC2
InChIInChI=1S/C27H23N3O4/c31-19-9-6-17(7-10-19)13-24(34)30-27-22(12-16-4-2-1-3-5-16)28-26-21(29-27)11-8-18-14-20(32)15-23(33)25(18)26/h1-7,9-10,14-15,31-33H,8,11-13H2,(H,29,30,34)
InChIKeyWEWNZCOIGMUNDD-UHFFFAOYSA-N
XLogP4.13
TPSA115.57 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-8,10-dihydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-(2-benzyl-8,10-dihydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide (CID 136863038) is N-(2-benzyl-8,10-dihydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(2-benzyl-8,10-dihydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-(2-benzyl-8,10-dihydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide is O=C(Cc1ccc(O)cc1)Nc1nc2c(nc1Cc1ccccc1)-c1c(O)cc(O)cc1CC2.
What is the InChIKey of N-(2-benzyl-8,10-dihydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide?
The InChIKey is WEWNZCOIGMUNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O4/c31-19-9-6-17(7-10-19)13-24(34)30-27-22(12-16-4-2-1-3-5-16)28-26-21(29-27)11-8-18-14-20(32)15-23(33)25(18)26/h1-7,9-10,14-15,31-33H,8,11-13H2,(H,29,30,34).
What are the key properties of N-(2-benzyl-8,10-dihydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide?
N-(2-benzyl-8,10-dihydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide has a molecular weight of 453.50 g/mol, XLogP of 4.13, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-8,10-dihydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 136863038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).