N-[(4bR,10aS)-4b,10a-dihydroxy-8-methyl-11-oxo-5,10-dihydroindeno[1,2-b]quinoxalin-7-yl]-2-methylpropanamide

C20H21N3O4 — CID 1403000

IUPACN-[(4bR,10aS)-4b,10a-dihydroxy-8-methyl-11-oxo-5,10-dihydroindeno[1,2-b]quinoxalin-7-yl]-2-methylpropanamide
SMILESCc1cc2c(cc1NC(=O)C(C)C)N[C@@]1(O)c3ccccc3C(=O)[C@]1(O)N2
InChIInChI=1S/C20H21N3O4/c1-10(2)18(25)21-14-9-16-15(8-11(14)3)23-20(27)17(24)12-6-4-5-7-13(12)19(20,26)22-16/h4-10,22-23,26-27H,1-3H3,(H,21,25)/t19-,20-/m1/s1
InChIKeyOZNPGEKMMZOIIR-WOJBJXKFSA-N
MW367.41 g/mol
LogP2.16
Rot. Bonds2

About N-[(4bR,10aS)-4b,10a-dihydroxy-8-methyl-11-oxo-5,10-dihydroindeno[1,2-b]quinoxalin-7-yl]-2-methylpropanamide

N-[(4bR,10aS)-4b,10a-dihydroxy-8-methyl-11-oxo-5,10-dihydroindeno[1,2-b]quinoxalin-7-yl]-2-methylpropanamide (PubChem CID 1403000) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[(4bR,10aS)-4b,10a-dihydroxy-8-methyl-11-oxo-5,10-dihydroindeno[1,2-b]quinoxalin-7-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(4bR,10aS)-4b,10a-dihydroxy-8-methyl-11-oxo-5,10-dihydroindeno[1,2-b]quinoxalin-7-yl]-2-methylpropanamide
PubChem CID1403000
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[(4bR,10aS)-4b,10a-dihydroxy-8-methyl-11-oxo-5,10-dihydroindeno[1,2-b]quinoxalin-7-yl]-2-methylpropanamide
SMILESCc1cc2c(cc1NC(=O)C(C)C)N[C@@]1(O)c3ccccc3C(=O)[C@]1(O)N2
InChIInChI=1S/C20H21N3O4/c1-10(2)18(25)21-14-9-16-15(8-11(14)3)23-20(27)17(24)12-6-4-5-7-13(12)19(20,26)22-16/h4-10,22-23,26-27H,1-3H3,(H,21,25)/t19-,20-/m1/s1
InChIKeyOZNPGEKMMZOIIR-WOJBJXKFSA-N
XLogP2.16
TPSA110.69 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-[(4bR,10aS)-4b,10a-dihydroxy-8-methyl-11-oxo-5,10-dihydroindeno[1,2-b]quinoxalin-7-yl]-2-methylpropanamide with MolForge

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Related Compounds

N-(4b,10a-dihydroxy-8-methyl-11-oxo-5,10-dihydroindeno[1,2-b]quinoxalin-7-yl)-2-methylpropanamide
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N-(4-amino-2-methylphenyl)-2-methylpropanamide
CID 960642
N-[2-(1,3-dioxoisoindol-2-yl)-4-methylphenyl]-2-methylpropanamide
CID 168516887
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CID 682504
N-(1,3-dioxobenzo[de]isoquinolin-6-yl)-2-methylpropanamide
CID 2841476
N-(4-iodo-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2943510
N-[2-[3-[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl]sulfanyl-5-oxo-4H-1,2,4-triazin-6-yl]phenyl]-2-methylpropanamide
CID 136777231
methyl 2-methyl-5-[2-(2-methylpropanoylamino)phenyl]benzoate
CID 141290773
(2S)-N-(5-chloro-2-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7728470
2-methyl-N-(2-methyl-9,10-dioxoanthracen-1-yl)propanamide
CID 2752532
N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2913752

Frequently Asked Questions

What is the IUPAC name of N-[(4bR,10aS)-4b,10a-dihydroxy-8-methyl-11-oxo-5,10-dihydroindeno[1,2-b]quinoxalin-7-yl]-2-methylpropanamide?
The IUPAC name of N-[(4bR,10aS)-4b,10a-dihydroxy-8-methyl-11-oxo-5,10-dihydroindeno[1,2-b]quinoxalin-7-yl]-2-methylpropanamide (CID 1403000) is N-[(4bR,10aS)-4b,10a-dihydroxy-8-methyl-11-oxo-5,10-dihydroindeno[1,2-b]quinoxalin-7-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(4bR,10aS)-4b,10a-dihydroxy-8-methyl-11-oxo-5,10-dihydroindeno[1,2-b]quinoxalin-7-yl]-2-methylpropanamide?
The canonical SMILES for N-[(4bR,10aS)-4b,10a-dihydroxy-8-methyl-11-oxo-5,10-dihydroindeno[1,2-b]quinoxalin-7-yl]-2-methylpropanamide is Cc1cc2c(cc1NC(=O)C(C)C)N[C@@]1(O)c3ccccc3C(=O)[C@]1(O)N2.
What is the InChIKey of N-[(4bR,10aS)-4b,10a-dihydroxy-8-methyl-11-oxo-5,10-dihydroindeno[1,2-b]quinoxalin-7-yl]-2-methylpropanamide?
The InChIKey is OZNPGEKMMZOIIR-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-10(2)18(25)21-14-9-16-15(8-11(14)3)23-20(27)17(24)12-6-4-5-7-13(12)19(20,26)22-16/h4-10,22-23,26-27H,1-3H3,(H,21,25)/t19-,20-/m1/s1.
What are the key properties of N-[(4bR,10aS)-4b,10a-dihydroxy-8-methyl-11-oxo-5,10-dihydroindeno[1,2-b]quinoxalin-7-yl]-2-methylpropanamide?
N-[(4bR,10aS)-4b,10a-dihydroxy-8-methyl-11-oxo-5,10-dihydroindeno[1,2-b]quinoxalin-7-yl]-2-methylpropanamide has a molecular weight of 367.41 g/mol, XLogP of 2.16, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4bR,10aS)-4b,10a-dihydroxy-8-methyl-11-oxo-5,10-dihydroindeno[1,2-b]quinoxalin-7-yl]-2-methylpropanamide is sourced from PubChem (CID 1403000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).