(2S)-2-benzyl-1-(naphthalen-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

C27H23N3O2 — CID 11796451

IUPAC(2S)-2-benzyl-1-(naphthalen-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESNC(=O)c1ccc2c(c1)NC(=O)[C@H](Cc1ccccc1)N2Cc1ccc2ccccc2c1
InChIInChI=1S/C27H23N3O2/c28-26(31)22-12-13-24-23(16-22)29-27(32)25(15-18-6-2-1-3-7-18)30(24)17-19-10-11-20-8-4-5-9-21(20)14-19/h1-14,16,25H,15,17H2,(H2,28,31)(H,29,32)/t25-/m0/s1
InChIKeyBXPKMORYBALAIQ-VWLOTQADSA-N
MW421.50 g/mol
LogP4.51
Rot. Bonds5

About (2S)-2-benzyl-1-(naphthalen-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

(2S)-2-benzyl-1-(naphthalen-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (PubChem CID 11796451) has the molecular formula C27H23N3O2 and a molecular weight of 421.50 g/mol. Its IUPAC name is (2S)-2-benzyl-1-(naphthalen-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound Name(2S)-2-benzyl-1-(naphthalen-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
PubChem CID11796451
Molecular FormulaC27H23N3O2
Molecular Weight421.50 g/mol
Exact Mass421.18
IUPAC Name(2S)-2-benzyl-1-(naphthalen-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESNC(=O)c1ccc2c(c1)NC(=O)[C@H](Cc1ccccc1)N2Cc1ccc2ccccc2c1
InChIInChI=1S/C27H23N3O2/c28-26(31)22-12-13-24-23(16-22)29-27(32)25(15-18-6-2-1-3-7-18)30(24)17-19-10-11-20-8-4-5-9-21(20)14-19/h1-14,16,25H,15,17H2,(H2,28,31)(H,29,32)/t25-/m0/s1
InChIKeyBXPKMORYBALAIQ-VWLOTQADSA-N
XLogP4.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-1-(naphthalen-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of (2S)-2-benzyl-1-(naphthalen-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (CID 11796451) is (2S)-2-benzyl-1-(naphthalen-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for (2S)-2-benzyl-1-(naphthalen-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for (2S)-2-benzyl-1-(naphthalen-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is NC(=O)c1ccc2c(c1)NC(=O)[C@H](Cc1ccccc1)N2Cc1ccc2ccccc2c1.
What is the InChIKey of (2S)-2-benzyl-1-(naphthalen-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is BXPKMORYBALAIQ-VWLOTQADSA-N. The full InChI is InChI=1S/C27H23N3O2/c28-26(31)22-12-13-24-23(16-22)29-27(32)25(15-18-6-2-1-3-7-18)30(24)17-19-10-11-20-8-4-5-9-21(20)14-19/h1-14,16,25H,15,17H2,(H2,28,31)(H,29,32)/t25-/m0/s1.
What are the key properties of (2S)-2-benzyl-1-(naphthalen-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
(2S)-2-benzyl-1-(naphthalen-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-1-(naphthalen-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 11796451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).