N-benzyl-2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide

C33H25N3O2 — CID 53383112

IUPACN-benzyl-2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide
SMILESO=C(NCc1ccccc1)C(c1cccc2ccccc12)n1c(=O)c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C33H25N3O2/c37-32(34-22-23-12-3-1-4-13-23)31(27-19-11-17-24-14-7-8-18-26(24)27)36-29-21-10-9-20-28(29)35-30(33(36)38)25-15-5-2-6-16-25/h1-21,31H,22H2,(H,34,37)
InChIKeyMYIQCACCXZALLQ-UHFFFAOYSA-N
MW495.58 g/mol
LogP6.12
Rot. Bonds6

About N-benzyl-2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide

N-benzyl-2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide (PubChem CID 53383112) has the molecular formula C33H25N3O2 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-benzyl-2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide
PubChem CID53383112
Molecular FormulaC33H25N3O2
Molecular Weight495.58 g/mol
Exact Mass495.19
IUPAC NameN-benzyl-2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide
SMILESO=C(NCc1ccccc1)C(c1cccc2ccccc12)n1c(=O)c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C33H25N3O2/c37-32(34-22-23-12-3-1-4-13-23)31(27-19-11-17-24-14-7-8-18-26(24)27)36-29-21-10-9-20-28(29)35-30(33(36)38)25-15-5-2-6-16-25/h1-21,31H,22H2,(H,34,37)
InChIKeyMYIQCACCXZALLQ-UHFFFAOYSA-N
XLogP6.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.58
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide?
The IUPAC name of N-benzyl-2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide (CID 53383112) is N-benzyl-2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-benzyl-2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide?
The canonical SMILES for N-benzyl-2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide is O=C(NCc1ccccc1)C(c1cccc2ccccc12)n1c(=O)c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of N-benzyl-2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide?
The InChIKey is MYIQCACCXZALLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N3O2/c37-32(34-22-23-12-3-1-4-13-23)31(27-19-11-17-24-14-7-8-18-26(24)27)36-29-21-10-9-20-28(29)35-30(33(36)38)25-15-5-2-6-16-25/h1-21,31H,22H2,(H,34,37).
What are the key properties of N-benzyl-2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide?
N-benzyl-2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide has a molecular weight of 495.58 g/mol, XLogP of 6.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide is sourced from PubChem (CID 53383112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).