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

C22H23N5O — CID 146322265

IUPAC4-cyclopropyl-1,3-dimethyl-6-[4-(4-methylphenyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one
SMILESCc1ccc(-n2cnnc2-c2ccc3c(c2)N(C2CC2)C(C)C(=O)N3C)cc1
InChIInChI=1S/C22H23N5O/c1-14-4-7-17(8-5-14)26-13-23-24-21(26)16-6-11-19-20(12-16)27(18-9-10-18)15(2)22(28)25(19)3/h4-8,11-13,15,18H,9-10H2,1-3H3
InChIKeyWSJAPPMZVLWPFU-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.58
Rot. Bonds3

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

4-cyclopropyl-1,3-dimethyl-6-[4-(4-methylphenyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one (PubChem CID 146322265) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-cyclopropyl-1,3-dimethyl-6-[4-(4-methylphenyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one.

Molecular Properties

Compound Name4-cyclopropyl-1,3-dimethyl-6-[4-(4-methylphenyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one
PubChem CID146322265
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name4-cyclopropyl-1,3-dimethyl-6-[4-(4-methylphenyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one
SMILESCc1ccc(-n2cnnc2-c2ccc3c(c2)N(C2CC2)C(C)C(=O)N3C)cc1
InChIInChI=1S/C22H23N5O/c1-14-4-7-17(8-5-14)26-13-23-24-21(26)16-6-11-19-20(12-16)27(18-9-10-18)15(2)22(28)25(19)3/h4-8,11-13,15,18H,9-10H2,1-3H3
InChIKeyWSJAPPMZVLWPFU-UHFFFAOYSA-N
XLogP3.58
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1,3-dimethyl-6-[4-(4-methylphenyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one?
The IUPAC name of 4-cyclopropyl-1,3-dimethyl-6-[4-(4-methylphenyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one (CID 146322265) is 4-cyclopropyl-1,3-dimethyl-6-[4-(4-methylphenyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one.
What is the SMILES notation for 4-cyclopropyl-1,3-dimethyl-6-[4-(4-methylphenyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one?
The canonical SMILES for 4-cyclopropyl-1,3-dimethyl-6-[4-(4-methylphenyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one is Cc1ccc(-n2cnnc2-c2ccc3c(c2)N(C2CC2)C(C)C(=O)N3C)cc1.
What is the InChIKey of 4-cyclopropyl-1,3-dimethyl-6-[4-(4-methylphenyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one?
The InChIKey is WSJAPPMZVLWPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-14-4-7-17(8-5-14)26-13-23-24-21(26)16-6-11-19-20(12-16)27(18-9-10-18)15(2)22(28)25(19)3/h4-8,11-13,15,18H,9-10H2,1-3H3.
What are the key properties of 4-cyclopropyl-1,3-dimethyl-6-[4-(4-methylphenyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one?
4-cyclopropyl-1,3-dimethyl-6-[4-(4-methylphenyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one has a molecular weight of 373.46 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1,3-dimethyl-6-[4-(4-methylphenyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one is sourced from PubChem (CID 146322265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).