(2S)-2-benzyl-1-[(3-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

C24H23N3O3 — CID 10739812

IUPAC(2S)-2-benzyl-1-[(3-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESCOc1cccc(CN2c3ccc(C(N)=O)cc3NC(=O)[C@@H]2Cc2ccccc2)c1
InChIInChI=1S/C24H23N3O3/c1-30-19-9-5-8-17(12-19)15-27-21-11-10-18(23(25)28)14-20(21)26-24(29)22(27)13-16-6-3-2-4-7-16/h2-12,14,22H,13,15H2,1H3,(H2,25,28)(H,26,29)/t22-/m0/s1
InChIKeyAWMOIJQPIPVAOC-QFIPXVFZSA-N
MW401.47 g/mol
LogP3.36
Rot. Bonds6

About (2S)-2-benzyl-1-[(3-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

(2S)-2-benzyl-1-[(3-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (PubChem CID 10739812) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is (2S)-2-benzyl-1-[(3-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound Name(2S)-2-benzyl-1-[(3-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
PubChem CID10739812
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name(2S)-2-benzyl-1-[(3-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESCOc1cccc(CN2c3ccc(C(N)=O)cc3NC(=O)[C@@H]2Cc2ccccc2)c1
InChIInChI=1S/C24H23N3O3/c1-30-19-9-5-8-17(12-19)15-27-21-11-10-18(23(25)28)14-20(21)26-24(29)22(27)13-16-6-3-2-4-7-16/h2-12,14,22H,13,15H2,1H3,(H2,25,28)(H,26,29)/t22-/m0/s1
InChIKeyAWMOIJQPIPVAOC-QFIPXVFZSA-N
XLogP3.36
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-benzyl-1-(naphthalen-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 11796451
3-ethyl-4-[(4-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one
CID 71173465
2-(2-methylpropyl)-1-naphthalen-2-yl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 101101014
6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanoic acid
CID 69495401
4-[[2-[(4-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide
CID 73300935
(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]piperazine-2,5-dione
CID 165417368
3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 82481104
(6S)-6-benzyl-1-[(3-methoxyphenyl)methyl]-4-(6-methylpyridine-3-carbonyl)piperazin-2-one
CID 122600835
2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide
CID 45208072
(3-methoxyphenyl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 17454387
3-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
CID 68724550
(5S)-3-acetyl-1-[(3-methoxyphenyl)methyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione
CID 90883366

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-1-[(3-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of (2S)-2-benzyl-1-[(3-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (CID 10739812) is (2S)-2-benzyl-1-[(3-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for (2S)-2-benzyl-1-[(3-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for (2S)-2-benzyl-1-[(3-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is COc1cccc(CN2c3ccc(C(N)=O)cc3NC(=O)[C@@H]2Cc2ccccc2)c1.
What is the InChIKey of (2S)-2-benzyl-1-[(3-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is AWMOIJQPIPVAOC-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-30-19-9-5-8-17(12-19)15-27-21-11-10-18(23(25)28)14-20(21)26-24(29)22(27)13-16-6-3-2-4-7-16/h2-12,14,22H,13,15H2,1H3,(H2,25,28)(H,26,29)/t22-/m0/s1.
What are the key properties of (2S)-2-benzyl-1-[(3-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
(2S)-2-benzyl-1-[(3-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-1-[(3-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 10739812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).