4-cyclopropyl-1,3-dimethyl-6-[2-(4-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one

C28H33N7O2 — CID 146322251

IUPAC4-cyclopropyl-1,3-dimethyl-6-[2-(4-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one
SMILESCc1ccc(-n2nc(C(=O)N3CCN(C)CC3)nc2-c2ccc3c(c2)N(C2CC2)C(C)C(=O)N3C)cc1
InChIInChI=1S/C28H33N7O2/c1-18-5-8-22(9-6-18)35-26(29-25(30-35)28(37)33-15-13-31(3)14-16-33)20-7-12-23-24(17-20)34(21-10-11-21)19(2)27(36)32(23)4/h5-9,12,17,19,21H,10-11,13-16H2,1-4H3
InChIKeyLSTCQUNBWNVCHK-UHFFFAOYSA-N
MW499.62 g/mol
LogP2.96
Rot. Bonds4

About 4-cyclopropyl-1,3-dimethyl-6-[2-(4-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one

4-cyclopropyl-1,3-dimethyl-6-[2-(4-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one (PubChem CID 146322251) has the molecular formula C28H33N7O2 and a molecular weight of 499.62 g/mol. Its IUPAC name is 4-cyclopropyl-1,3-dimethyl-6-[2-(4-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one.

Molecular Properties

Compound Name4-cyclopropyl-1,3-dimethyl-6-[2-(4-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one
PubChem CID146322251
Molecular FormulaC28H33N7O2
Molecular Weight499.62 g/mol
Exact Mass499.27
IUPAC Name4-cyclopropyl-1,3-dimethyl-6-[2-(4-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one
SMILESCc1ccc(-n2nc(C(=O)N3CCN(C)CC3)nc2-c2ccc3c(c2)N(C2CC2)C(C)C(=O)N3C)cc1
InChIInChI=1S/C28H33N7O2/c1-18-5-8-22(9-6-18)35-26(29-25(30-35)28(37)33-15-13-31(3)14-16-33)20-7-12-23-24(17-20)34(21-10-11-21)19(2)27(36)32(23)4/h5-9,12,17,19,21H,10-11,13-16H2,1-4H3
InChIKeyLSTCQUNBWNVCHK-UHFFFAOYSA-N
XLogP2.96
TPSA77.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-cyclopropyl-1,3-dimethyl-6-[2-(4-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)-1,2,4-triazol-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 4-cyclopropyl-1,3-dimethyl-6-[2-(4-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one?
The IUPAC name of 4-cyclopropyl-1,3-dimethyl-6-[2-(4-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one (CID 146322251) is 4-cyclopropyl-1,3-dimethyl-6-[2-(4-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one.
What is the SMILES notation for 4-cyclopropyl-1,3-dimethyl-6-[2-(4-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one?
The canonical SMILES for 4-cyclopropyl-1,3-dimethyl-6-[2-(4-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one is Cc1ccc(-n2nc(C(=O)N3CCN(C)CC3)nc2-c2ccc3c(c2)N(C2CC2)C(C)C(=O)N3C)cc1.
What is the InChIKey of 4-cyclopropyl-1,3-dimethyl-6-[2-(4-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one?
The InChIKey is LSTCQUNBWNVCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O2/c1-18-5-8-22(9-6-18)35-26(29-25(30-35)28(37)33-15-13-31(3)14-16-33)20-7-12-23-24(17-20)34(21-10-11-21)19(2)27(36)32(23)4/h5-9,12,17,19,21H,10-11,13-16H2,1-4H3.
What are the key properties of 4-cyclopropyl-1,3-dimethyl-6-[2-(4-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one?
4-cyclopropyl-1,3-dimethyl-6-[2-(4-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one has a molecular weight of 499.62 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1,3-dimethyl-6-[2-(4-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one is sourced from PubChem (CID 146322251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).