(3R)-6-[5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-4-(oxetan-3-yl)-3H-quinoxalin-2-one

C29H35N7O3 — CID 146322259

IUPAC(3R)-6-[5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-4-(oxetan-3-yl)-3H-quinoxalin-2-one
SMILESCc1ccc(-n2nc(C(=O)N3C[C@@H](C)N[C@@H](C)C3)nc2-c2ccc3c(c2)N(C2COC2)[C@H](C)C(=O)N3C)cc1
InChIInChI=1S/C29H35N7O3/c1-17-6-9-22(10-7-17)36-27(31-26(32-36)29(38)34-13-18(2)30-19(3)14-34)21-8-11-24-25(12-21)35(23-15-39-16-23)20(4)28(37)33(24)5/h6-12,18-20,23,30H,13-16H2,1-5H3/t18-,19+,20-/m1/s1
InChIKeyUHYZGGBEVXTMTI-HSALFYBXSA-N
MW529.65 g/mol
LogP2.64
Rot. Bonds4

About (3R)-6-[5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-4-(oxetan-3-yl)-3H-quinoxalin-2-one

(3R)-6-[5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-4-(oxetan-3-yl)-3H-quinoxalin-2-one (PubChem CID 146322259) has the molecular formula C29H35N7O3 and a molecular weight of 529.65 g/mol. Its IUPAC name is (3R)-6-[5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-4-(oxetan-3-yl)-3H-quinoxalin-2-one.

Molecular Properties

Compound Name(3R)-6-[5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-4-(oxetan-3-yl)-3H-quinoxalin-2-one
PubChem CID146322259
Molecular FormulaC29H35N7O3
Molecular Weight529.65 g/mol
Exact Mass529.28
IUPAC Name(3R)-6-[5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-4-(oxetan-3-yl)-3H-quinoxalin-2-one
SMILESCc1ccc(-n2nc(C(=O)N3C[C@@H](C)N[C@@H](C)C3)nc2-c2ccc3c(c2)N(C2COC2)[C@H](C)C(=O)N3C)cc1
InChIInChI=1S/C29H35N7O3/c1-17-6-9-22(10-7-17)36-27(31-26(32-36)29(38)34-13-18(2)30-19(3)14-34)21-8-11-24-25(12-21)35(23-15-39-16-23)20(4)28(37)33(24)5/h6-12,18-20,23,30H,13-16H2,1-5H3/t18-,19+,20-/m1/s1
InChIKeyUHYZGGBEVXTMTI-HSALFYBXSA-N
XLogP2.64
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.65
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3R)-6-[5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-4-(oxetan-3-yl)-3H-quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-6-[5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-4-(oxetan-3-yl)-3H-quinoxalin-2-one?
The IUPAC name of (3R)-6-[5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-4-(oxetan-3-yl)-3H-quinoxalin-2-one (CID 146322259) is (3R)-6-[5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-4-(oxetan-3-yl)-3H-quinoxalin-2-one.
What is the SMILES notation for (3R)-6-[5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-4-(oxetan-3-yl)-3H-quinoxalin-2-one?
The canonical SMILES for (3R)-6-[5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-4-(oxetan-3-yl)-3H-quinoxalin-2-one is Cc1ccc(-n2nc(C(=O)N3C[C@@H](C)N[C@@H](C)C3)nc2-c2ccc3c(c2)N(C2COC2)[C@H](C)C(=O)N3C)cc1.
What is the InChIKey of (3R)-6-[5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-4-(oxetan-3-yl)-3H-quinoxalin-2-one?
The InChIKey is UHYZGGBEVXTMTI-HSALFYBXSA-N. The full InChI is InChI=1S/C29H35N7O3/c1-17-6-9-22(10-7-17)36-27(31-26(32-36)29(38)34-13-18(2)30-19(3)14-34)21-8-11-24-25(12-21)35(23-15-39-16-23)20(4)28(37)33(24)5/h6-12,18-20,23,30H,13-16H2,1-5H3/t18-,19+,20-/m1/s1.
What are the key properties of (3R)-6-[5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-4-(oxetan-3-yl)-3H-quinoxalin-2-one?
(3R)-6-[5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-4-(oxetan-3-yl)-3H-quinoxalin-2-one has a molecular weight of 529.65 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-[5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-4-(oxetan-3-yl)-3H-quinoxalin-2-one is sourced from PubChem (CID 146322259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).