4-cyclopropyl-N,1,3-trimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide

C21H23N3O2 — CID 142296525

IUPAC4-cyclopropyl-N,1,3-trimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide
SMILESCC1C(=O)N(C)c2ccc(C(=O)N(C)c3ccccc3)cc2N1C1CC1
InChIInChI=1S/C21H23N3O2/c1-14-20(25)23(3)18-12-9-15(13-19(18)24(14)17-10-11-17)21(26)22(2)16-7-5-4-6-8-16/h4-9,12-14,17H,10-11H2,1-3H3
InChIKeyXCMLVRQFLSFMKU-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.30
Rot. Bonds3

About 4-cyclopropyl-N,1,3-trimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide

4-cyclopropyl-N,1,3-trimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide (PubChem CID 142296525) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-cyclopropyl-N,1,3-trimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N,1,3-trimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide
PubChem CID142296525
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-cyclopropyl-N,1,3-trimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide
SMILESCC1C(=O)N(C)c2ccc(C(=O)N(C)c3ccccc3)cc2N1C1CC1
InChIInChI=1S/C21H23N3O2/c1-14-20(25)23(3)18-12-9-15(13-19(18)24(14)17-10-11-17)21(26)22(2)16-7-5-4-6-8-16/h4-9,12-14,17H,10-11H2,1-3H3
InChIKeyXCMLVRQFLSFMKU-UHFFFAOYSA-N
XLogP3.30
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N,1,3-trimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide?
The IUPAC name of 4-cyclopropyl-N,1,3-trimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide (CID 142296525) is 4-cyclopropyl-N,1,3-trimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N,1,3-trimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide?
The canonical SMILES for 4-cyclopropyl-N,1,3-trimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide is CC1C(=O)N(C)c2ccc(C(=O)N(C)c3ccccc3)cc2N1C1CC1.
What is the InChIKey of 4-cyclopropyl-N,1,3-trimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide?
The InChIKey is XCMLVRQFLSFMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-20(25)23(3)18-12-9-15(13-19(18)24(14)17-10-11-17)21(26)22(2)16-7-5-4-6-8-16/h4-9,12-14,17H,10-11H2,1-3H3.
What are the key properties of 4-cyclopropyl-N,1,3-trimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide?
4-cyclopropyl-N,1,3-trimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N,1,3-trimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide is sourced from PubChem (CID 142296525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).